Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.

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2,101 – 2,115 of 64,662 results

2,101

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4-Bromo-3,5-difluorobenzoic acid, 96%, Thermo Scientific Chemicals

CAS: 651027-00-8 Molecular Formula: C7H3BrF2O2 Molecular Weight (g/mol): 237.00 MDL Number: MFCD18917156 InChI Key: NLLRAEQVOZOSBB-UHFFFAOYSA-N Synonym: benzoic acid, 4-bromo-3,5-difluoro,4-bromo-3,5-difluorobenzoicacid,3,5-difluoro-4-bromobenzoic acid PubChem CID: 11424897 IUPAC Name: 4-bromo-3,5-difluorobenzoic acid SMILES: OC(=O)C1=CC(F)=C(Br)C(F)=C1

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Specifications

PubChem CID	11424897
CAS	651027-00-8
Molecular Weight (g/mol)	237.00
MDL Number	MFCD18917156
SMILES	OC(=O)C1=CC(F)=C(Br)C(F)=C1
Synonym	benzoic acid, 4-bromo-3,5-difluoro,4-bromo-3,5-difluorobenzoicacid,3,5-difluoro-4-bromobenzoic acid
IUPAC Name	4-bromo-3,5-difluorobenzoic acid
InChI Key	NLLRAEQVOZOSBB-UHFFFAOYSA-N
Molecular Formula	C7H3BrF2O2

2,102

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(2R,5R)-1-(2-[(2R,5R)-2,5-Dimethylphospholan-1-yl]phenyl)-2,5-dimethylphospholane 1-oxide, 97+%

CAS: 638132-66-8 Molecular Formula: C18H28OP2 Molecular Weight (g/mol): 322.369 MDL Number: MFCD09750450 InChI Key: ORZVYNTUPREFTI-KLHDSHLOSA-N Synonym: r,r-me-bozphos,1-2r,5r-2,5-dimethylphospholanyl-2-2r,5r-2,5-dimethylphospholanyl-1-oxide benzene,1,2-bis 2r,5r-2,5-dimethylphospholano,1,2-bis 2r,5r-2,5-dimethylphospholano benzene monooxide,1,2-bis 2r,5r-2,5-dimethylphospholano benzene monooxide, kanata purity,1,1'-1,2-phenylene bis 2r-2alpha,5beta-dimethyltetrahydro-1h-phosphole-1-one,2r,5r-1-2-2r,5r-2,5-dimethylphospholan-1-yl phenyl-2,5-dimethylphospholane 1-oxide, 97+%,2r,5r-1-2-2r,5r-2,5-dimethylphospholan-1-yl phenyl-2,5-dimethyl-1??-phospholan-1-one,2r,5r-1-2-2r,5r-2,5-dimethylphospholan-1-yl phenyl-2,5-dimethylphospholane 1-oxide,1-2-2alpha,5beta-dimethyltetrahydro-1h-phosphole-1-yl phenyl-2alpha,5beta-dimethyltetrahydro-1h-phosphole 1-oxide PubChem CID: 11209472 IUPAC Name: (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethyl-1$l^{5}-phospholane 1-oxide SMILES: CC1CCC(P1C2=CC=CC=C2P3(=O)C(CCC3C)C)C

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Specifications

PubChem CID	11209472
CAS	638132-66-8
Molecular Weight (g/mol)	322.369
MDL Number	MFCD09750450
SMILES	CC1CCC(P1C2=CC=CC=C2P3(=O)C(CCC3C)C)C
Synonym	r,r-me-bozphos,1-2r,5r-2,5-dimethylphospholanyl-2-2r,5r-2,5-dimethylphospholanyl-1-oxide benzene,1,2-bis 2r,5r-2,5-dimethylphospholano,1,2-bis 2r,5r-2,5-dimethylphospholano benzene monooxide,1,2-bis 2r,5r-2,5-dimethylphospholano benzene monooxide, kanata purity,1,1'-1,2-phenylene bis 2r-2alpha,5beta-dimethyltetrahydro-1h-phosphole-1-one,2r,5r-1-2-2r,5r-2,5-dimethylphospholan-1-yl phenyl-2,5-dimethylphospholane 1-oxide, 97+%,2r,5r-1-2-2r,5r-2,5-dimethylphospholan-1-yl phenyl-2,5-dimethyl-1??-phospholan-1-one,2r,5r-1-2-2r,5r-2,5-dimethylphospholan-1-yl phenyl-2,5-dimethylphospholane 1-oxide,1-2-2alpha,5beta-dimethyltetrahydro-1h-phosphole-1-yl phenyl-2alpha,5beta-dimethyltetrahydro-1h-phosphole 1-oxide
IUPAC Name	(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethyl-1$l^{5}-phospholane 1-oxide
InChI Key	ORZVYNTUPREFTI-KLHDSHLOSA-N
Molecular Formula	C18H28OP2

2,103

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3-Phenyl-1-propylamine, 98%

CAS: 2038-57-5 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00008224 InChI Key: LYUQWQRTDLVQGA-UHFFFAOYSA-N Synonym: 3-phenylpropylamine,benzenepropanamine,1-amino-3-phenylpropane,hydrocinnamylamine,gamma-phenylpropylamine,3-phenyl-n-propylamine,3-phenyl-1-propylamine,3-phenyl-1-propanamine,propylamine, 3-phenyl,3-phenylpropanamine PubChem CID: 16259 IUPAC Name: 3-phenylpropan-1-amine SMILES: NCCCC1=CC=CC=C1

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Specifications

PubChem CID	16259
CAS	2038-57-5
Molecular Weight (g/mol)	135.21
MDL Number	MFCD00008224
SMILES	NCCCC1=CC=CC=C1
Synonym	3-phenylpropylamine,benzenepropanamine,1-amino-3-phenylpropane,hydrocinnamylamine,gamma-phenylpropylamine,3-phenyl-n-propylamine,3-phenyl-1-propylamine,3-phenyl-1-propanamine,propylamine, 3-phenyl,3-phenylpropanamine
IUPAC Name	3-phenylpropan-1-amine
InChI Key	LYUQWQRTDLVQGA-UHFFFAOYSA-N
Molecular Formula	C9H13N

2,104

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4-Bromo-3-nitroaniline, 97%

CAS: 53324-38-2 Molecular Formula: C6H5BrN2O2 Molecular Weight (g/mol): 217.02 MDL Number: MFCD01320678 InChI Key: PITHQPMZWKZGRZ-UHFFFAOYSA-N Synonym: 4-bromo-3-nitro-phenylamine,benzenamine, 4-bromo-3-nitro,4-bromo-3-nitro-aniline,4-bromo-3-nitrophenylamine,pubchem2613,3-nitro-4-bromoaniline,4-bromo-3-nitrobenzenamine,4-bromanyl-3-nitro-aniline,ksc494a6p,benzenamine,4-bromo-3-nitro PubChem CID: 612299 IUPAC Name: 4-bromo-3-nitroaniline SMILES: NC1=CC=C(Br)C(=C1)[N+]([O-])=O

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Specifications

PubChem CID	612299
CAS	53324-38-2
Molecular Weight (g/mol)	217.02
MDL Number	MFCD01320678
SMILES	NC1=CC=C(Br)C(=C1)[N+]([O-])=O
Synonym	4-bromo-3-nitro-phenylamine,benzenamine, 4-bromo-3-nitro,4-bromo-3-nitro-aniline,4-bromo-3-nitrophenylamine,pubchem2613,3-nitro-4-bromoaniline,4-bromo-3-nitrobenzenamine,4-bromanyl-3-nitro-aniline,ksc494a6p,benzenamine,4-bromo-3-nitro
IUPAC Name	4-bromo-3-nitroaniline
InChI Key	PITHQPMZWKZGRZ-UHFFFAOYSA-N
Molecular Formula	C6H5BrN2O2

2,105

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Allylpentafluorobenzene, 97%, Thermo Scientific™

CAS: 1736-60-3 Molecular Formula: C9H5F5 Molecular Weight (g/mol): 208.13 MDL Number: MFCD00000301 InChI Key: YBDBTBVNQQBHGJ-UHFFFAOYSA-N Synonym: allylpentafluorobenzene,benzene, allylpentafluoro,3-pentafluorophenyl-1-propene,2,3,4,5,6-pentafluoro allylbenzene,benzene, pentafluoro-2-propenyl,1,2,3,4,5-pentafluoro-6-prop-2-en-1-yl benzene,allyl pentafluorobenzene,pubchem13366,acmc-1bth5 PubChem CID: 74435 IUPAC Name: 1,2,3,4,5-pentafluoro-6-(prop-2-en-1-yl)benzene SMILES: FC1=C(F)C(F)=C(CC=C)C(F)=C1F

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Specifications

PubChem CID	74435
CAS	1736-60-3
Molecular Weight (g/mol)	208.13
MDL Number	MFCD00000301
SMILES	FC1=C(F)C(F)=C(CC=C)C(F)=C1F
Synonym	allylpentafluorobenzene,benzene, allylpentafluoro,3-pentafluorophenyl-1-propene,2,3,4,5,6-pentafluoro allylbenzene,benzene, pentafluoro-2-propenyl,1,2,3,4,5-pentafluoro-6-prop-2-en-1-yl benzene,allyl pentafluorobenzene,pubchem13366,acmc-1bth5
IUPAC Name	1,2,3,4,5-pentafluoro-6-(prop-2-en-1-yl)benzene
InChI Key	YBDBTBVNQQBHGJ-UHFFFAOYSA-N
Molecular Formula	C9H5F5

2,106

5-Nitro-2-(3-phenylpropylamino)benzoic acid, 98%

CAS: 107254-86-4 Molecular Formula: C16H16N2O4 Molecular Weight (g/mol): 300.31 MDL Number: MFCD00153851 InChI Key: WBSMIPAMAXNXFS-UHFFFAOYSA-N Synonym: nppb,5-nitro-2-3-phenylpropylamino benzoic acid,unii-3a35o9g3yz,5-nitro-2-3-phenylpropyl amino benzoic acid,benzoic acid,5-nitro-2-3-phenylpropyl amino,benzoic acid, 5-nitro-2-3-phenylpropyl amino,5-nitro-2-3-phenylpropylamino-benzoic acid,5-nitro-2-phenylpropylaminobenzoic acid nppb,5-nitro-2-3-phenylpropylamino benzoic acid nppb,spectrum_001814 PubChem CID: 4549 ChEBI: CHEBI:34457 IUPAC Name: 5-nitro-2-[(3-phenylpropyl)amino]benzoic acid SMILES: OC(=O)C1=CC(=CC=C1NCCCC1=CC=CC=C1)[N+]([O-])=O

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Specifications

PubChem CID	4549
CAS	107254-86-4
Molecular Weight (g/mol)	300.31
ChEBI	CHEBI:34457
MDL Number	MFCD00153851
SMILES	OC(=O)C1=CC(=CC=C1NCCCC1=CC=CC=C1)[N+]([O-])=O
Synonym	nppb,5-nitro-2-3-phenylpropylamino benzoic acid,unii-3a35o9g3yz,5-nitro-2-3-phenylpropyl amino benzoic acid,benzoic acid,5-nitro-2-3-phenylpropyl amino,benzoic acid, 5-nitro-2-3-phenylpropyl amino,5-nitro-2-3-phenylpropylamino-benzoic acid,5-nitro-2-phenylpropylaminobenzoic acid nppb,5-nitro-2-3-phenylpropylamino benzoic acid nppb,spectrum_001814
IUPAC Name	5-nitro-2-[(3-phenylpropyl)amino]benzoic acid
InChI Key	WBSMIPAMAXNXFS-UHFFFAOYSA-N
Molecular Formula	C16H16N2O4

2,107

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(R)-(-)-8-Diphenylphosphino-1,2,3,4-tetrahydro-1-naphthylamine, 97+%

CAS: 960128-64-7 Molecular Formula: C22H22NP Molecular Weight (g/mol): 331.40 MDL Number: MFCD16621442 InChI Key: KTWOFTBMHDQUEE-GNLPSFAGNA-N Synonym: r-8-diphenylphosphino-1,2,3,4-tetrahydronaphthalen-1-amine,r-1-amino-8-diphenylphosphino-1,2,3,4-tetrahydronaphthalene,1r-8-diphenylphosphanyl-1,2,3,4-tetrahydronaphthalen-1-amine,1r-8-diphenylphosphino tetralin-1-amine,1r-8-diphenylphosphanyl-1,2,3,4-tetrahydronaphthalen-1-ami,r-8-diphenylphosphanyl-1,2,3,4-tetrahydronaphthalen-1-amine,r---8-diphenylphosphino-1,2,3,4-tetrahydro-1-naphthylamine,r---8-diphenylphosphino-1,2,3,4-tetrahydro-1-naphthylamine, 97+% PubChem CID: 71309688 IUPAC Name: (1R)-8-diphenylphosphanyl-1,2,3,4-tetrahydronaphthalen-1-amine SMILES: N[C@@H]1CCCC2=C1C(=CC=C2)P(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	71309688
CAS	960128-64-7
Molecular Weight (g/mol)	331.40
MDL Number	MFCD16621442
SMILES	N[C@@H]1CCCC2=C1C(=CC=C2)P(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	r-8-diphenylphosphino-1,2,3,4-tetrahydronaphthalen-1-amine,r-1-amino-8-diphenylphosphino-1,2,3,4-tetrahydronaphthalene,1r-8-diphenylphosphanyl-1,2,3,4-tetrahydronaphthalen-1-amine,1r-8-diphenylphosphino tetralin-1-amine,1r-8-diphenylphosphanyl-1,2,3,4-tetrahydronaphthalen-1-ami,r-8-diphenylphosphanyl-1,2,3,4-tetrahydronaphthalen-1-amine,r---8-diphenylphosphino-1,2,3,4-tetrahydro-1-naphthylamine,r---8-diphenylphosphino-1,2,3,4-tetrahydro-1-naphthylamine, 97+%
IUPAC Name	(1R)-8-diphenylphosphanyl-1,2,3,4-tetrahydronaphthalen-1-amine
InChI Key	KTWOFTBMHDQUEE-GNLPSFAGNA-N
Molecular Formula	C22H22NP

2,108

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2-Chloro-4-fluorotoluene, 98%

CAS: 452-73-3 Molecular Formula: C7H6ClF Molecular Weight (g/mol): 144.573 MDL Number: MFCD00000572 InChI Key: CSARJIQZOSVYHA-UHFFFAOYSA-N Synonym: 2-chloro-4-fluorotoluene,benzene, 2-chloro-4-fluoro-1-methyl,4-fluoro-2-chlorotoluene,2-chlor-4-fluor-1-methylbenzol,pubchem1605,2-chloro-4fluorotoluene,acmc-1adyb,4-fluor-2-chlor-toluol,ksc235q0r,csarjiqzosvyha-uhfffaoysa PubChem CID: 96747 IUPAC Name: 2-chloro-4-fluoro-1-methylbenzene SMILES: CC1=C(C=C(C=C1)F)Cl

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Specifications

PubChem CID	96747
CAS	452-73-3
Molecular Weight (g/mol)	144.573
MDL Number	MFCD00000572
SMILES	CC1=C(C=C(C=C1)F)Cl
Synonym	2-chloro-4-fluorotoluene,benzene, 2-chloro-4-fluoro-1-methyl,4-fluoro-2-chlorotoluene,2-chlor-4-fluor-1-methylbenzol,pubchem1605,2-chloro-4fluorotoluene,acmc-1adyb,4-fluor-2-chlor-toluol,ksc235q0r,csarjiqzosvyha-uhfffaoysa
IUPAC Name	2-chloro-4-fluoro-1-methylbenzene
InChI Key	CSARJIQZOSVYHA-UHFFFAOYSA-N
Molecular Formula	C7H6ClF

2,109

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4-Bromoaniline, 96%, pract.

CAS: 106-40-1 Molecular Formula: C₆H₆BrN Molecular Weight (g/mol): 172.02 MDL Number: MFCD00007822 InChI Key: WDFQBORIUYODSI-UHFFFAOYSA-N Synonym: p-bromoaniline,4-bromobenzenamine,benzenamine, 4-bromo,p-bromophenylamine,aniline, p-bromo,4-bromo-aniline,4-bromobenzeneamine,p-bromo aniline,4-bromanilinu,4-bromo-phenylamine PubChem CID: 7807 IUPAC Name: 4-bromoaniline SMILES: C1=CC(=CC=C1N)Br

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Specifications

PubChem CID	7807
CAS	106-40-1
Molecular Weight (g/mol)	172.02
MDL Number	MFCD00007822
SMILES	C1=CC(=CC=C1N)Br
Synonym	p-bromoaniline,4-bromobenzenamine,benzenamine, 4-bromo,p-bromophenylamine,aniline, p-bromo,4-bromo-aniline,4-bromobenzeneamine,p-bromo aniline,4-bromanilinu,4-bromo-phenylamine
IUPAC Name	4-bromoaniline
InChI Key	WDFQBORIUYODSI-UHFFFAOYSA-N
Molecular Formula	C₆H₆BrN

2,110

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3,4,5-Trimethoxyphenylacetic acid, 99%

CAS: 951-82-6 Molecular Formula: C₁₁H₁₄O₅ Molecular Weight (g/mol): 226.23 MDL Number: MFCD00004336 InChI Key: DDSJXCGGOXKGSJ-UHFFFAOYSA-N Synonym: 3,4,5-trimethoxyphenylacetic acid,2-3,4,5-trimethoxyphenyl acetic acid,3,4,5-trimethoxyphenyl acetic acid,benzeneacetic acid, 3,4,5-trimethoxy,3,4,5-trimethoxyphenylaceticacid,pubchem14015,acmc-209rv8,ksc487g4j,3,4,5-trimethoxybenzeneacetic acid,benzeneacetic acid,4,5-trimethoxy PubChem CID: 70372 IUPAC Name: 2-(3,4,5-trimethoxyphenyl)acetic acid SMILES: COC1=CC(=CC(=C1OC)OC)CC(=O)O

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Specifications

PubChem CID	70372
CAS	951-82-6
Molecular Weight (g/mol)	226.23
MDL Number	MFCD00004336
SMILES	COC1=CC(=CC(=C1OC)OC)CC(=O)O
Synonym	3,4,5-trimethoxyphenylacetic acid,2-3,4,5-trimethoxyphenyl acetic acid,3,4,5-trimethoxyphenyl acetic acid,benzeneacetic acid, 3,4,5-trimethoxy,3,4,5-trimethoxyphenylaceticacid,pubchem14015,acmc-209rv8,ksc487g4j,3,4,5-trimethoxybenzeneacetic acid,benzeneacetic acid,4,5-trimethoxy
IUPAC Name	2-(3,4,5-trimethoxyphenyl)acetic acid
InChI Key	DDSJXCGGOXKGSJ-UHFFFAOYSA-N
Molecular Formula	C₁₁H₁₄O₅

2,111

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2-Bromostyrene, 96%, stab. with ca 0.05% 4-tert-butylcatechol

CAS: 2039-88-5 Molecular Formula: C8H7Br Molecular Weight (g/mol): 183.048 MDL Number: MFCD00000076 InChI Key: SSZOCHFYWWVSAI-UHFFFAOYSA-N Synonym: 2-bromostyrene,1-bromo-2-vinylbenzene,o-bromostyrene,benzene, 1-bromo-2-ethenyl,unii-9a96gp6z5d,styrene, o-bromo,2-bromo-styrene,o-bromovinylbenzene,pubchem23975,2-bromo-1-vinylbenzene PubChem CID: 16264 IUPAC Name: 1-bromo-2-ethenylbenzene SMILES: C=CC1=CC=CC=C1Br

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Specifications

PubChem CID	16264
CAS	2039-88-5
Molecular Weight (g/mol)	183.048
MDL Number	MFCD00000076
SMILES	C=CC1=CC=CC=C1Br
Synonym	2-bromostyrene,1-bromo-2-vinylbenzene,o-bromostyrene,benzene, 1-bromo-2-ethenyl,unii-9a96gp6z5d,styrene, o-bromo,2-bromo-styrene,o-bromovinylbenzene,pubchem23975,2-bromo-1-vinylbenzene
IUPAC Name	1-bromo-2-ethenylbenzene
InChI Key	SSZOCHFYWWVSAI-UHFFFAOYSA-N
Molecular Formula	C8H7Br

2,112

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2-Aminoterephthalic acid, 99%

CAS: 10312-55-7 Molecular Formula: C8H5NO4 Molecular Weight (g/mol): 179.13 MDL Number: MFCD00134536 InChI Key: GPNNOCMCNFXRAO-UHFFFAOYSA-L Synonym: aminoterephthalic acid,2-aminobenzene-1,4-dicarboxylic acid,2-amino-1,4-benzenedicarboxylic acid,4-carboxyanthranilic acid,1,4-benzenedicarboxylic acid, 2-amino,2-aminoterephthalic,aminoterephthalicacid,2,5-dicarboxyaniline,2-aminoterephtalic acid,timtec-bb sbb006751 PubChem CID: 2724822 IUPAC Name: 2-aminoterephthalic acid SMILES: NC1=CC(=CC=C1C([O-])=O)C([O-])=O

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Specifications

PubChem CID	2724822
CAS	10312-55-7
Molecular Weight (g/mol)	179.13
MDL Number	MFCD00134536
SMILES	NC1=CC(=CC=C1C([O-])=O)C([O-])=O
Synonym	aminoterephthalic acid,2-aminobenzene-1,4-dicarboxylic acid,2-amino-1,4-benzenedicarboxylic acid,4-carboxyanthranilic acid,1,4-benzenedicarboxylic acid, 2-amino,2-aminoterephthalic,aminoterephthalicacid,2,5-dicarboxyaniline,2-aminoterephtalic acid,timtec-bb sbb006751
IUPAC Name	2-aminoterephthalic acid
InChI Key	GPNNOCMCNFXRAO-UHFFFAOYSA-L
Molecular Formula	C8H5NO4

2,113

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4-Methoxyphenylacetic acid, 99%

CAS: 104-01-8 Molecular Formula: C₉H₁₀O₃ Molecular Weight (g/mol): 166.18 MDL Number: MFCD00004345 InChI Key: NRPFNQUDKRYCNX-UHFFFAOYSA-N Synonym: 4-methoxyphenylacetic acid,homoanisic acid,2-4-methoxyphenyl acetic acid,4-methoxybenzeneacetic acid,benzeneacetic acid, 4-methoxy,4-methoxyphenyl acetic acid,p-methoxyphenylacetic acid,2-p-anisyl acetic acid,p-methoxyphenyl acetic acid PubChem CID: 7690 ChEBI: CHEBI:55501 IUPAC Name: 2-(4-methoxyphenyl)acetic acid SMILES: COC1=CC=C(C=C1)CC(=O)O

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Specifications

PubChem CID	7690
CAS	104-01-8
Molecular Weight (g/mol)	166.18
ChEBI	CHEBI:55501
MDL Number	MFCD00004345
SMILES	COC1=CC=C(C=C1)CC(=O)O
Synonym	4-methoxyphenylacetic acid,homoanisic acid,2-4-methoxyphenyl acetic acid,4-methoxybenzeneacetic acid,benzeneacetic acid, 4-methoxy,4-methoxyphenyl acetic acid,p-methoxyphenylacetic acid,2-p-anisyl acetic acid,p-methoxyphenyl acetic acid
IUPAC Name	2-(4-methoxyphenyl)acetic acid
InChI Key	NRPFNQUDKRYCNX-UHFFFAOYSA-N
Molecular Formula	C₉H₁₀O₃

2,114

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Methyl 4-tert-butylbenzoate, 99%, Thermo Scientific™

CAS: 26537-19-9 Molecular Formula: C₁₂H₁₆O₂ Molecular Weight (g/mol): 192.26 MDL Number: MFCD00008835 InChI Key: UPIJOAFHOIWPLT-UHFFFAOYSA-N Synonym: methyl 4-tert-butyl benzoate,methyl p-tert-butylbenzoate,4-tert-butylbenzoic acid methyl ester,unii-8vk4o27jmt,benzoic acid, 4-1,1-dimethylethyl-, methyl ester,methyl 4-t-butylbenzoate,8vk4o27jmt,methyl4-tert-butylbenzoate,methyl p-t-butylbenzoate,benzoic acid, p-tert-butyl-, methyl ester PubChem CID: 97433 IUPAC Name: methyl 4-tert-butylbenzoate SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)OC

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Specifications

PubChem CID	97433
CAS	26537-19-9
Molecular Weight (g/mol)	192.26
MDL Number	MFCD00008835
SMILES	CC(C)(C)C1=CC=C(C=C1)C(=O)OC
Synonym	methyl 4-tert-butyl benzoate,methyl p-tert-butylbenzoate,4-tert-butylbenzoic acid methyl ester,unii-8vk4o27jmt,benzoic acid, 4-1,1-dimethylethyl-, methyl ester,methyl 4-t-butylbenzoate,8vk4o27jmt,methyl4-tert-butylbenzoate,methyl p-t-butylbenzoate,benzoic acid, p-tert-butyl-, methyl ester
IUPAC Name	methyl 4-tert-butylbenzoate
InChI Key	UPIJOAFHOIWPLT-UHFFFAOYSA-N
Molecular Formula	C₁₂H₁₆O₂

2,115

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Cumene, 98%, pure

CAS: 98-82-8 MDL Number: MFCD00008881 InChI Key: RWGFKTVRMDUZSP-UHFFFAOYSA-N Synonym: isopropylbenzene,2-phenylpropane,cumol,benzene, 1-methylethyl,1-methylethyl benzene,isopropylbenzol,cumeen,isopropilbenzene,isopropylbenzeen,2-fenilpropano PubChem CID: 7406 ChEBI: CHEBI:34656 IUPAC Name: cumene SMILES: CC(C)C1=CC=CC=C1

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Specifications

PubChem CID	7406
CAS	98-82-8
ChEBI	CHEBI:34656
MDL Number	MFCD00008881
SMILES	CC(C)C1=CC=CC=C1
Synonym	isopropylbenzene,2-phenylpropane,cumol,benzene, 1-methylethyl,1-methylethyl benzene,isopropylbenzol,cumeen,isopropilbenzene,isopropylbenzeen,2-fenilpropano
IUPAC Name	cumene
InChI Key	RWGFKTVRMDUZSP-UHFFFAOYSA-N

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Benzene and substituted derivatives

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