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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6,886 – 6,900 of 57,364 results

6,886

Ethyl Violet, TCI America™

CAS: 2390-59-2 Molecular Formula: C31H42ClN3 Molecular Weight (g/mol): 492.15 MDL Number: MFCD00011765 InChI Key: JVICFMRAVNKDOE-UHFFFAOYSA-M Synonym: ethyl violet,basic violet 4,c.i. basic violet 4,ethyl violet ax,ethyl violet gga,ethyl crystal violet,lowacryl violet 4,shikiso acid brilliant blue 6b,ethyl violet biological stain,unii-94uz9rd7tj PubChem CID: 16955 IUPAC Name: tris[4-(diethylamino)phenyl]methylium chloride SMILES: [Cl-].CCN(CC)C1=CC=C(C=C1)[C+](C1=CC=C(C=C1)N(CC)CC)C1=CC=C(C=C1)N(CC)CC

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Specifications

PubChem CID	16955
CAS	2390-59-2
Molecular Weight (g/mol)	492.15
MDL Number	MFCD00011765
SMILES	[Cl-].CCN(CC)C1=CC=C(C=C1)[C+](C1=CC=C(C=C1)N(CC)CC)C1=CC=C(C=C1)N(CC)CC
Synonym	ethyl violet,basic violet 4,c.i. basic violet 4,ethyl violet ax,ethyl violet gga,ethyl crystal violet,lowacryl violet 4,shikiso acid brilliant blue 6b,ethyl violet biological stain,unii-94uz9rd7tj
IUPAC Name	tris[4-(diethylamino)phenyl]methylium chloride
InChI Key	JVICFMRAVNKDOE-UHFFFAOYSA-M
Molecular Formula	C31H42ClN3

6,887

Bis[4-(4-aminophenoxy)phenyl] Sulfone 98.0+%, TCI America™

CAS: 13080-89-2 Molecular Formula: C24H20N2O4S Molecular Weight (g/mol): 432.49 MDL Number: MFCD00039155 InChI Key: UTDAGHZGKXPRQI-UHFFFAOYSA-N PubChem CID: 25689 IUPAC Name: 4-{4-[4-(4-aminophenoxy)benzenesulfonyl]phenoxy}aniline SMILES: NC1=CC=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(OC3=CC=C(N)C=C3)C=C2)C=C1

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Specifications

PubChem CID	25689
CAS	13080-89-2
Molecular Weight (g/mol)	432.49
MDL Number	MFCD00039155
SMILES	NC1=CC=C(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(OC3=CC=C(N)C=C3)C=C2)C=C1
IUPAC Name	4-{4-[4-(4-aminophenoxy)benzenesulfonyl]phenoxy}aniline
InChI Key	UTDAGHZGKXPRQI-UHFFFAOYSA-N
Molecular Formula	C24H20N2O4S

6,888

(1S,4S)-2-Benzyl-2,5-diazabicyclo[2.2.1]heptane Dihydrobromide 98.0+%, TCI America™

CAS: 116258-17-4 Molecular Formula: C12H18Br2N2 Molecular Weight (g/mol): 350.098 MDL Number: MFCD01321292 InChI Key: SOMPEQIPSQFVMO-AQEKLAMFSA-N PubChem CID: 14612542 IUPAC Name: (1S,4S)-2-benzyl-2,5-diazabicyclo[2.2.1]heptane;dihydrobromide SMILES: C1C2CNC1CN2CC3=CC=CC=C3.Br.Br

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Specifications

PubChem CID	14612542
CAS	116258-17-4
Molecular Weight (g/mol)	350.098
MDL Number	MFCD01321292
SMILES	C1C2CNC1CN2CC3=CC=CC=C3.Br.Br
IUPAC Name	(1S,4S)-2-benzyl-2,5-diazabicyclo[2.2.1]heptane;dihydrobromide
InChI Key	SOMPEQIPSQFVMO-AQEKLAMFSA-N
Molecular Formula	C12H18Br2N2

6,889

Methyl 2-Methyl-3-nitrobenzoate 98.0+%, TCI America™

CAS: 59382-59-1 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 MDL Number: MFCD00082564 InChI Key: CRZGFIMLHZTLGT-UHFFFAOYSA-N Synonym: benzoic acid, 2-methyl-3-nitro-, methyl ester,methyl 3-nitro-o-toluate,2-methyl-3-nitrobenzoic acid methyl ester,methyl 3-nitro-2-methylbenzoate,3-nitro-o-toluic acid methyl ester,2-methyl-3-nitromethylbenzoate,pubchem10933,acmc-1awh8,ksc495s1j,methyl2-methyl-3-nitrobenzoate PubChem CID: 601165 IUPAC Name: methyl 2-methyl-3-nitrobenzoate SMILES: COC(=O)C1=CC=CC(=C1C)[N+]([O-])=O

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Specifications

PubChem CID	601165
CAS	59382-59-1
Molecular Weight (g/mol)	195.17
MDL Number	MFCD00082564
SMILES	COC(=O)C1=CC=CC(=C1C)[N+]([O-])=O
Synonym	benzoic acid, 2-methyl-3-nitro-, methyl ester,methyl 3-nitro-o-toluate,2-methyl-3-nitrobenzoic acid methyl ester,methyl 3-nitro-2-methylbenzoate,3-nitro-o-toluic acid methyl ester,2-methyl-3-nitromethylbenzoate,pubchem10933,acmc-1awh8,ksc495s1j,methyl2-methyl-3-nitrobenzoate
IUPAC Name	methyl 2-methyl-3-nitrobenzoate
InChI Key	CRZGFIMLHZTLGT-UHFFFAOYSA-N
Molecular Formula	C9H9NO4

6,890

2-Hydroxy-4-methylbenzophenone 97.0+%, TCI America™

CAS: 3098-18-8 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD01099035 InChI Key: KIZCNUWGIVQQBK-UHFFFAOYSA-N PubChem CID: 137824 IUPAC Name: 2-benzoyl-5-methylphenol SMILES: CC1=CC=C(C(=O)C2=CC=CC=C2)C(O)=C1

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Specifications

PubChem CID	137824
CAS	3098-18-8
Molecular Weight (g/mol)	212.25
MDL Number	MFCD01099035
SMILES	CC1=CC=C(C(=O)C2=CC=CC=C2)C(O)=C1
IUPAC Name	2-benzoyl-5-methylphenol
InChI Key	KIZCNUWGIVQQBK-UHFFFAOYSA-N
Molecular Formula	C14H12O2

6,891

2,3,4,6-Tetrafluorobenzyl Alcohol 98.0+%, TCI America™

CAS: 53001-70-0 Molecular Formula: C7H4F4O Molecular Weight (g/mol): 180.10 MDL Number: MFCD03701105 InChI Key: BXLQTYVTBJQPPZ-UHFFFAOYSA-N PubChem CID: 17750859 IUPAC Name: (2,3,4,6-tetrafluorophenyl)methanol SMILES: OCC1=C(F)C=C(F)C(F)=C1F

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Specifications

PubChem CID	17750859
CAS	53001-70-0
Molecular Weight (g/mol)	180.10
MDL Number	MFCD03701105
SMILES	OCC1=C(F)C=C(F)C(F)=C1F
IUPAC Name	(2,3,4,6-tetrafluorophenyl)methanol
InChI Key	BXLQTYVTBJQPPZ-UHFFFAOYSA-N
Molecular Formula	C7H4F4O

6,892

Allyltriphenylphosphonium Bromide 98.0+%, TCI America™

CAS: 1560-54-9 Molecular Formula: C21H20BrP Molecular Weight (g/mol): 383.27 MDL Number: MFCD00011808 InChI Key: FWYKRJUVEOBFGH-UHFFFAOYSA-M Synonym: allyltriphenylphosphonium bromide,triphenyl allylphosphonium bromide,phosphonium, triphenyl-2-propenyl-, bromide,allyl triphenylphosphonium bromide,phosphonium, allyltriphenyl-, bromide,allyltriphenylphosphonium bromide tal,triphenyl prop-2-enyl phosphanium bromide,2-propenyltriphenylphosphonium bromide,triphenyl prop-2-en-1-yl phosphanium bromide,wln: 1u2pr&r&r &e PubChem CID: 197740 IUPAC Name: triphenyl(prop-2-en-1-yl)phosphanium bromide SMILES: [Br-].C=CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	197740
CAS	1560-54-9
Molecular Weight (g/mol)	383.27
MDL Number	MFCD00011808
SMILES	[Br-].C=CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	allyltriphenylphosphonium bromide,triphenyl allylphosphonium bromide,phosphonium, triphenyl-2-propenyl-, bromide,allyl triphenylphosphonium bromide,phosphonium, allyltriphenyl-, bromide,allyltriphenylphosphonium bromide tal,triphenyl prop-2-enyl phosphanium bromide,2-propenyltriphenylphosphonium bromide,triphenyl prop-2-en-1-yl phosphanium bromide,wln: 1u2pr&r&r &e
IUPAC Name	triphenyl(prop-2-en-1-yl)phosphanium bromide
InChI Key	FWYKRJUVEOBFGH-UHFFFAOYSA-M
Molecular Formula	C21H20BrP

6,893

2,6-Difluorophenylboronic Acid (contains varying amounts of Anhydride), TCI America™

CAS: 162101-25-9 Molecular Formula: C6H5BF2O2 Molecular Weight (g/mol): 157.911 InChI Key: DBZAICSEFBVFHL-UHFFFAOYSA-N Synonym: 2,6-difluorobenzeneboronic acid,2,6-difluorophenyl boronic acid,2,6-difluorophenyl boranediol,boronic acid, 2,6-difluorophenyl,2,6-difluorphenylboronic acid,2,6-difluoro phenylboric acid,boronic acid, b-2,6-difluorophenyl,2,6-difluorophenylboricacid,pubchem1816,acmc-1celt PubChem CID: 2734336 IUPAC Name: (2,6-difluorophenyl)boronic acid SMILES: B(C1=C(C=CC=C1F)F)(O)O

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Specifications

PubChem CID	2734336
CAS	162101-25-9
Molecular Weight (g/mol)	157.911
SMILES	B(C1=C(C=CC=C1F)F)(O)O
Synonym	2,6-difluorobenzeneboronic acid,2,6-difluorophenyl boronic acid,2,6-difluorophenyl boranediol,boronic acid, 2,6-difluorophenyl,2,6-difluorphenylboronic acid,2,6-difluoro phenylboric acid,boronic acid, b-2,6-difluorophenyl,2,6-difluorophenylboricacid,pubchem1816,acmc-1celt
IUPAC Name	(2,6-difluorophenyl)boronic acid
InChI Key	DBZAICSEFBVFHL-UHFFFAOYSA-N
Molecular Formula	C6H5BF2O2

6,894

2,3,5,6-Tetrafluoro-1,4-phenylenediamine 98.0+%, TCI America™

CAS: 1198-64-7 Molecular Formula: C6H4F4N2 Molecular Weight (g/mol): 180.11 MDL Number: MFCD00039767 InChI Key: FVFYRXJKYAVFSB-UHFFFAOYSA-N Synonym: 1,4-Diamino-2,3,5,6-tetrafluorobenzene PubChem CID: 70979 IUPAC Name: tetrafluorobenzene-1,4-diamine SMILES: NC1=C(F)C(F)=C(N)C(F)=C1F

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Specifications

PubChem CID	70979
CAS	1198-64-7
Molecular Weight (g/mol)	180.11
MDL Number	MFCD00039767
SMILES	NC1=C(F)C(F)=C(N)C(F)=C1F
Synonym	1,4-Diamino-2,3,5,6-tetrafluorobenzene
IUPAC Name	tetrafluorobenzene-1,4-diamine
InChI Key	FVFYRXJKYAVFSB-UHFFFAOYSA-N
Molecular Formula	C6H4F4N2

6,895

2,4,6-Tris(3-bromophenyl)-1,3,5-triazine 98.0+%, TCI America™

CAS: 890148-78-4 Molecular Formula: C21H12Br3N3 Molecular Weight (g/mol): 546.06 InChI Key: IWHHYACTSSPXDV-UHFFFAOYSA-N PubChem CID: 57872377 IUPAC Name: 2,4,6-tris(3-bromophenyl)-1,3,5-triazine SMILES: C1=CC(=CC(=C1)Br)C2=NC(=NC(=N2)C3=CC(=CC=C3)Br)C4=CC(=CC=C4)Br

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Specifications

PubChem CID	57872377
CAS	890148-78-4
Molecular Weight (g/mol)	546.06
SMILES	C1=CC(=CC(=C1)Br)C2=NC(=NC(=N2)C3=CC(=CC=C3)Br)C4=CC(=CC=C4)Br
IUPAC Name	2,4,6-tris(3-bromophenyl)-1,3,5-triazine
InChI Key	IWHHYACTSSPXDV-UHFFFAOYSA-N
Molecular Formula	C21H12Br3N3

6,896

4'-Phenoxyacetophenone, TCI America™

CAS: 5031-78-7 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00008744 InChI Key: DJNIFZYQFLFGDT-UHFFFAOYSA-N Synonym: 4'-phenoxyacetophenone,1-4-phenoxyphenyl ethanone,4-phenoxyacetophenone,p-phenoxyacetophenone,1-4-phenoxyphenyl ethan-1-one,ethanone, 1-4-phenoxyphenyl,4-acetyldiphenyl ether,1-4-phenoxyphenyl-1-ethanone,1-4-phenoxyphenyl ethanon,pubchem13195 PubChem CID: 236783 IUPAC Name: 1-(4-phenoxyphenyl)ethan-1-one SMILES: CC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1

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Specifications

PubChem CID	236783
CAS	5031-78-7
Molecular Weight (g/mol)	212.25
MDL Number	MFCD00008744
SMILES	CC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1
Synonym	4'-phenoxyacetophenone,1-4-phenoxyphenyl ethanone,4-phenoxyacetophenone,p-phenoxyacetophenone,1-4-phenoxyphenyl ethan-1-one,ethanone, 1-4-phenoxyphenyl,4-acetyldiphenyl ether,1-4-phenoxyphenyl-1-ethanone,1-4-phenoxyphenyl ethanon,pubchem13195
IUPAC Name	1-(4-phenoxyphenyl)ethan-1-one
InChI Key	DJNIFZYQFLFGDT-UHFFFAOYSA-N
Molecular Formula	C14H12O2

6,897

3,3-Diphenylpropionic Acid 97.0+%, TCI America™

CAS: 606-83-7 Molecular Formula: C15H14O2 Molecular Weight (g/mol): 226.28 MDL Number: MFCD00002717 InChI Key: BZQGAPWJKAYCHR-UHFFFAOYSA-N Synonym: 3,3-diphenylpropionic acid,benzenepropanoic acid, .beta.-phenyl,3,3-diphenyl-propionic acid,propionic acid, 3,3-diphenyl,.beta.-phenylbenzenepropanoic acid,beta,beta-diphenylpropionic acid,hydrocinnamic acid, .beta.-phenyl,beta-phenylbenzenepropanoic acid,hydrocinnamic acid, beta-phenyl,pubchem13618 PubChem CID: 64798 IUPAC Name: 3,3-diphenylpropanoic acid SMILES: OC(=O)CC(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	64798
CAS	606-83-7
Molecular Weight (g/mol)	226.28
MDL Number	MFCD00002717
SMILES	OC(=O)CC(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	3,3-diphenylpropionic acid,benzenepropanoic acid, .beta.-phenyl,3,3-diphenyl-propionic acid,propionic acid, 3,3-diphenyl,.beta.-phenylbenzenepropanoic acid,beta,beta-diphenylpropionic acid,hydrocinnamic acid, .beta.-phenyl,beta-phenylbenzenepropanoic acid,hydrocinnamic acid, beta-phenyl,pubchem13618
IUPAC Name	3,3-diphenylpropanoic acid
InChI Key	BZQGAPWJKAYCHR-UHFFFAOYSA-N
Molecular Formula	C15H14O2

6,898

3-Hydroxy-2'-methyl-2-naphthanilide 97.0+%, TCI America™

CAS: 135-61-5 Molecular Formula: C18H15NO2 Molecular Weight (g/mol): 277.323 MDL Number: MFCD00021634 InChI Key: FBLAHUMENIHUGG-UHFFFAOYSA-N Synonym: 2-Hydroxy-3-naphthoic Acid o-Toluidide, Naphthol AS-D, Azoic Coupling Component 18, 3-Hydroxy-N-(o-tolyl)-2-naphthamide PubChem CID: 67273 IUPAC Name: 3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide SMILES: CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C=C2O

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Specifications

PubChem CID	67273
CAS	135-61-5
Molecular Weight (g/mol)	277.323
MDL Number	MFCD00021634
SMILES	CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C=C2O
Synonym	2-Hydroxy-3-naphthoic Acid o-Toluidide, Naphthol AS-D, Azoic Coupling Component 18, 3-Hydroxy-N-(o-tolyl)-2-naphthamide
IUPAC Name	3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide
InChI Key	FBLAHUMENIHUGG-UHFFFAOYSA-N
Molecular Formula	C18H15NO2

6,899

5-Chloro-2-hydroxybenzophenone 98.0+%, TCI America™

CAS: 85-19-8 Molecular Formula: C13H9ClO2 Molecular Weight (g/mol): 232.66 MDL Number: MFCD00020134 InChI Key: OMWSZDODENFLSV-UHFFFAOYSA-N PubChem CID: 6799 IUPAC Name: 2-benzoyl-4-chlorophenol SMILES: OC1=CC=C(Cl)C=C1C(=O)C1=CC=CC=C1

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Specifications

PubChem CID	6799
CAS	85-19-8
Molecular Weight (g/mol)	232.66
MDL Number	MFCD00020134
SMILES	OC1=CC=C(Cl)C=C1C(=O)C1=CC=CC=C1
IUPAC Name	2-benzoyl-4-chlorophenol
InChI Key	OMWSZDODENFLSV-UHFFFAOYSA-N
Molecular Formula	C13H9ClO2

6,900

2,4-Dinitroiodobenzene 98.0+%, TCI America™

CAS: 709-49-9 Molecular Formula: C6H3IN2O4 Molecular Weight (g/mol): 294.004 MDL Number: MFCD00039738 InChI Key: FXMKXMJLXRTQSW-UHFFFAOYSA-N Synonym: 2,4-dinitroiodobenzene,benzene, 1-iodo-2,4-dinitro,unii-not697x2xm,ccris 7907,4-iodo-1,3-dintrobenzene,6-iodo-1,3-dintrobenzene,2,4-dinitro-1-iodobenzene,not697x2xm,1-iodo-2,4-dinitro-benzene,1-iod-2,4-dinitrobenzol PubChem CID: 69730 ChEBI: CHEBI:59000 IUPAC Name: 1-iodo-2,4-dinitrobenzene SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])I

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Specifications

PubChem CID	69730
CAS	709-49-9
Molecular Weight (g/mol)	294.004
ChEBI	CHEBI:59000
MDL Number	MFCD00039738
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])I
Synonym	2,4-dinitroiodobenzene,benzene, 1-iodo-2,4-dinitro,unii-not697x2xm,ccris 7907,4-iodo-1,3-dintrobenzene,6-iodo-1,3-dintrobenzene,2,4-dinitro-1-iodobenzene,not697x2xm,1-iodo-2,4-dinitro-benzene,1-iod-2,4-dinitrobenzol
IUPAC Name	1-iodo-2,4-dinitrobenzene
InChI Key	FXMKXMJLXRTQSW-UHFFFAOYSA-N
Molecular Formula	C6H3IN2O4

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Benzene and substituted derivatives

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