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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271 – 285 of 119,933 results

271

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3-Fluorobenzyl alcohol, 98%

CAS: 456-47-3 Molecular Formula: C7H7FO Molecular Weight (g/mol): 126.13 MDL Number: MFCD00004631 InChI Key: QDHRSLFSDGCJFX-UHFFFAOYSA-N Synonym: 3-fluorobenzyl alcohol,3-fluorophenyl methanol,m-fluorobenzyl alcohol,benzenemethanol, 3-fluoro,3-fluorobenzylalcohol,3-fluorobenzylic alcohol,benzyl alcohol, m-fluoro,3-fluorophenyl methan-1-ol,3-florobenzyl alcohol,pubchem3486 PubChem CID: 68008 IUPAC Name: (3-fluorophenyl)methanol SMILES: C1=CC(=CC(=C1)F)CO

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Specifications

PubChem CID	68008
CAS	456-47-3
Molecular Weight (g/mol)	126.13
MDL Number	MFCD00004631
SMILES	C1=CC(=CC(=C1)F)CO
Synonym	3-fluorobenzyl alcohol,3-fluorophenyl methanol,m-fluorobenzyl alcohol,benzenemethanol, 3-fluoro,3-fluorobenzylalcohol,3-fluorobenzylic alcohol,benzyl alcohol, m-fluoro,3-fluorophenyl methan-1-ol,3-florobenzyl alcohol,pubchem3486
IUPAC Name	(3-fluorophenyl)methanol
InChI Key	QDHRSLFSDGCJFX-UHFFFAOYSA-N
Molecular Formula	C7H7FO

272

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Diethyl phthalate, 99%

CAS: 84-66-2 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00009111 InChI Key: FLKPEMZONWLCSK-UHFFFAOYSA-N Synonym: diethyl phthalate,phthalic acid diethyl ester,ethyl phthalate,anozol,neantine,phthalol,solvanol,diethyl o-phthalate,palatinol a,placidol e PubChem CID: 6781 ChEBI: CHEBI:34698 IUPAC Name: diethyl benzene-1,2-dicarboxylate SMILES: CCOC(=O)C1=CC=CC=C1C(=O)OCC

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Specifications

PubChem CID	6781
CAS	84-66-2
Molecular Weight (g/mol)	222.24
ChEBI	CHEBI:34698
MDL Number	MFCD00009111
SMILES	CCOC(=O)C1=CC=CC=C1C(=O)OCC
Synonym	diethyl phthalate,phthalic acid diethyl ester,ethyl phthalate,anozol,neantine,phthalol,solvanol,diethyl o-phthalate,palatinol a,placidol e
IUPAC Name	diethyl benzene-1,2-dicarboxylate
InChI Key	FLKPEMZONWLCSK-UHFFFAOYSA-N
Molecular Formula	C12H14O4

273

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Thermo Scientific Chemicals 5-Sulfosalicylic acid dihydrate, 99+%

CAS: 5965-83-3 | C9H14O6S | 250.27 g/mol

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Specifications

Molecular Weight (g/mol)	250.27
CAS Min %	99.0
InChI Key	NFYHZVWMQHQKRU-UHFFFAOYSA-N
PubChem CID	2723734
Name Note	p.a.
Percent Purity	99+%
Fieser	01,1118
Infrared Spectrum	Authentic
Formula Weight	254.22
Melting Point	106.0°C to 110.0°C
CAS Max %	100.0
Color	White
Physical Form	Crystalline Powder
Chemical Name or Material	5-Sulfosalicylic acid dihydrate
SMILES	C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O
Merck Index	15, 9094
Assay Percent Range	99+%
CAS	97-05-2
Health Hazard 3	GHS P Statement IF SWALLOWED: rinse mouth. Do NOT induce vomiting. Wear protective gloves/protective clothing/eye protection/face protection. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,if pre
MDL Number	MFCD00007508,MFCD00149540
Health Hazard 2	GHS H Statement Causes severe skin burns and eye damage. Harmful if swallowed.
Solubility Information	Solubility in water: 127g/L (20°C). Other solubilities: soluble in alcohol and ether
Packaging	Plastic bottle
Health Hazard 1	GHS Signal Word: Danger
Synonym	2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd
Beilstein	11, 411
Molecular Formula	C9H14O6S

274

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4-Methoxybenzylchloride, 98%, stabilized

CAS: 824-94-2 Molecular Formula: C₈H₉ClO Molecular Weight (g/mol): 156.61 MDL Number: MFCD00000915 InChI Key: MOHYOXXOKFQHDC-UHFFFAOYSA-N Synonym: 4-methoxybenzyl chloride,4-methoxybenzylchloride,1-chloromethyl-4-methoxybenzene,p-methoxybenzyl chloride,p-anisyl chloride,alpha-chloro-4-methoxytoluene,p-chloromethyl anisole,benzene, 1-chloromethyl-4-methoxy,4-chloromethyl anisole,anisole, p-chloromethyl PubChem CID: 69993 IUPAC Name: 1-(chloromethyl)-4-methoxybenzene SMILES: COC1=CC=C(C=C1)CCl

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Specifications

PubChem CID	69993
CAS	824-94-2
Molecular Weight (g/mol)	156.61
MDL Number	MFCD00000915
SMILES	COC1=CC=C(C=C1)CCl
Synonym	4-methoxybenzyl chloride,4-methoxybenzylchloride,1-chloromethyl-4-methoxybenzene,p-methoxybenzyl chloride,p-anisyl chloride,alpha-chloro-4-methoxytoluene,p-chloromethyl anisole,benzene, 1-chloromethyl-4-methoxy,4-chloromethyl anisole,anisole, p-chloromethyl
IUPAC Name	1-(chloromethyl)-4-methoxybenzene
InChI Key	MOHYOXXOKFQHDC-UHFFFAOYSA-N
Molecular Formula	C₈H₉ClO

275

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2-Amino-4-nitrobenzoic acid, 97+%

CAS: 619-17-0 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.14 MDL Number: MFCD00007262 InChI Key: UEALKTCRMBVTFN-UHFFFAOYSA-N Synonym: 2-amino-4-nitrobenzoic acid,4-nitroanthranilic acid,benzoic acid, 2-amino-4-nitro,2-amino-4-nitrobenzoicacid,anthranilic acid, 4-nitro,ccris 441,2-amino-4-nitro-benzoic acid,4-nitro-2-aminobenzoic acid,dsstox_cid_963,dsstox_rid_75891 PubChem CID: 12076 ChEBI: CHEBI:75335 IUPAC Name: 2-amino-4-nitrobenzoic acid SMILES: NC1=CC(=CC=C1C(O)=O)[N+]([O-])=O

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Specifications

PubChem CID	12076
CAS	619-17-0
Molecular Weight (g/mol)	182.14
ChEBI	CHEBI:75335
MDL Number	MFCD00007262
SMILES	NC1=CC(=CC=C1C(O)=O)[N+]([O-])=O
Synonym	2-amino-4-nitrobenzoic acid,4-nitroanthranilic acid,benzoic acid, 2-amino-4-nitro,2-amino-4-nitrobenzoicacid,anthranilic acid, 4-nitro,ccris 441,2-amino-4-nitro-benzoic acid,4-nitro-2-aminobenzoic acid,dsstox_cid_963,dsstox_rid_75891
IUPAC Name	2-amino-4-nitrobenzoic acid
InChI Key	UEALKTCRMBVTFN-UHFFFAOYSA-N
Molecular Formula	C7H6N2O4

276

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1,3-Dimethoxybenzene, 98%

CAS: 151-10-0 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00008384 InChI Key: DPZNOMCNRMUKPS-UHFFFAOYSA-N Synonym: m-dimethoxybenzene,resorcinol dimethyl ether,benzene, 1,3-dimethoxy,3-methoxyanisole,benzene, m-dimethoxy,dimethyl resorcinol,m-methoxyanisole,dimethylresorcinol,methoxyanisole, m,dimethylether resorcinolu PubChem CID: 9025 IUPAC Name: 1,3-dimethoxybenzene SMILES: COC1=CC(OC)=CC=C1

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Specifications

PubChem CID	9025
CAS	151-10-0
Molecular Weight (g/mol)	138.17
MDL Number	MFCD00008384
SMILES	COC1=CC(OC)=CC=C1
Synonym	m-dimethoxybenzene,resorcinol dimethyl ether,benzene, 1,3-dimethoxy,3-methoxyanisole,benzene, m-dimethoxy,dimethyl resorcinol,m-methoxyanisole,dimethylresorcinol,methoxyanisole, m,dimethylether resorcinolu
IUPAC Name	1,3-dimethoxybenzene
InChI Key	DPZNOMCNRMUKPS-UHFFFAOYSA-N
Molecular Formula	C8H10O2

277

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(1-Dodecyl)triphenylphosphonium bromide, 98+%

CAS: 15510-55-1 Molecular Formula: C30H40BrP Molecular Weight (g/mol): 511.53 MDL Number: MFCD00031546 InChI Key: NSIFOGPAKNSGNW-UHFFFAOYSA-M Synonym: dodecyltriphenylphosphonium bromide,unii-2oqv5uaf87,n-dodecyl triphenylphosphonium bromide,phosphonium, dodecyltriphenyl-, bromide,1-dodecyl triphenylphosphonium bromide,2oqv5uaf87,dodecyl triphenyl phosphoniumbromide,c12tppbr,n-c12h25pph3br,acmc-1btp1 PubChem CID: 84955 ChEBI: CHEBI:82638 IUPAC Name: dodecyl(triphenyl)phosphanium;bromide SMILES: [Br-].CCCCCCCCCCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	84955
CAS	15510-55-1
Molecular Weight (g/mol)	511.53
ChEBI	CHEBI:82638
MDL Number	MFCD00031546
SMILES	[Br-].CCCCCCCCCCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	dodecyltriphenylphosphonium bromide,unii-2oqv5uaf87,n-dodecyl triphenylphosphonium bromide,phosphonium, dodecyltriphenyl-, bromide,1-dodecyl triphenylphosphonium bromide,2oqv5uaf87,dodecyl triphenyl phosphoniumbromide,c12tppbr,n-c12h25pph3br,acmc-1btp1
IUPAC Name	dodecyl(triphenyl)phosphanium;bromide
InChI Key	NSIFOGPAKNSGNW-UHFFFAOYSA-M
Molecular Formula	C30H40BrP

278

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4-Bromo-2-chloroaniline, 99%

CAS: 38762-41-3 Molecular Formula: C₆H₅BrClN Molecular Weight (g/mol): 206.47 MDL Number: MFCD00007660 InChI Key: INMZDDDQLHKGPF-UHFFFAOYSA-N Synonym: 2-chloro-4-bromoaniline,4-bromo-2-chloro-phenylamine,benzenamine, 4-bromo-2-chloro,4-bromo-2-chloro-aniline,4-bromo-2-chlorophenylamine,4-bromo-6-chloroaniline,4-bromo-2-chlorobenzenamine,zlchem 546,pubchem3578,2-chloro4-bromoaniline PubChem CID: 610169 IUPAC Name: 4-bromo-2-chloroaniline SMILES: C1=CC(=C(C=C1Br)Cl)N

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Specifications

PubChem CID	610169
CAS	38762-41-3
Molecular Weight (g/mol)	206.47
MDL Number	MFCD00007660
SMILES	C1=CC(=C(C=C1Br)Cl)N
Synonym	2-chloro-4-bromoaniline,4-bromo-2-chloro-phenylamine,benzenamine, 4-bromo-2-chloro,4-bromo-2-chloro-aniline,4-bromo-2-chlorophenylamine,4-bromo-6-chloroaniline,4-bromo-2-chlorobenzenamine,zlchem 546,pubchem3578,2-chloro4-bromoaniline
IUPAC Name	4-bromo-2-chloroaniline
InChI Key	INMZDDDQLHKGPF-UHFFFAOYSA-N
Molecular Formula	C₆H₅BrClN

279

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2-Chlorobenzoic acid, 98+%

CAS: 118-91-2 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.565 MDL Number: MFCD00002412 InChI Key: IKCLCGXPQILATA-UHFFFAOYSA-N Synonym: o-chlorobenzoic acid,benzoic acid, o-chloro,benzoic acid, 2-chloro,2-cba,kyselina o-chlorbenzoova,chlorobenzoic acid,ocba,benzoic acid, chloro,2-chloro-benzoic acid,chlorobenzoate PubChem CID: 8374 ChEBI: CHEBI:30793 IUPAC Name: 2-chlorobenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)Cl

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Specifications

PubChem CID	8374
CAS	118-91-2
Molecular Weight (g/mol)	156.565
ChEBI	CHEBI:30793
MDL Number	MFCD00002412
SMILES	C1=CC=C(C(=C1)C(=O)O)Cl
Synonym	o-chlorobenzoic acid,benzoic acid, o-chloro,benzoic acid, 2-chloro,2-cba,kyselina o-chlorbenzoova,chlorobenzoic acid,ocba,benzoic acid, chloro,2-chloro-benzoic acid,chlorobenzoate
IUPAC Name	2-chlorobenzoic acid
InChI Key	IKCLCGXPQILATA-UHFFFAOYSA-N
Molecular Formula	C7H5ClO2

280

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3-Methylbenzoic anhydride, 97%

CAS: 21436-44-2 Molecular Formula: C16H14O3 Molecular Weight (g/mol): 254.285 MDL Number: MFCD00048083 InChI Key: DGZSQLHPEZFGSI-UHFFFAOYSA-N Synonym: 3-methylbenzoic anhydride,m-toluic anhydride,3-methylbenzene-1-carboxylic anhydride,benzoic acid, 3-methyl-, anhydride,3-methylbenzene-1-carboxylicanhydride,3-methylbenzoicanhydride,bis 3-methylbenzoic acid anhydride,3-methylbenzoyl 3-methylbenzoate,benzoic acid,3-methyl-, 1,1'-anhydride PubChem CID: 253301 IUPAC Name: (3-methylbenzoyl) 3-methylbenzoate SMILES: CC1=CC=CC(=C1)C(=O)OC(=O)C2=CC(=CC=C2)C

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Specifications

PubChem CID	253301
CAS	21436-44-2
Molecular Weight (g/mol)	254.285
MDL Number	MFCD00048083
SMILES	CC1=CC=CC(=C1)C(=O)OC(=O)C2=CC(=CC=C2)C
Synonym	3-methylbenzoic anhydride,m-toluic anhydride,3-methylbenzene-1-carboxylic anhydride,benzoic acid, 3-methyl-, anhydride,3-methylbenzene-1-carboxylicanhydride,3-methylbenzoicanhydride,bis 3-methylbenzoic acid anhydride,3-methylbenzoyl 3-methylbenzoate,benzoic acid,3-methyl-, 1,1'-anhydride
IUPAC Name	(3-methylbenzoyl) 3-methylbenzoate
InChI Key	DGZSQLHPEZFGSI-UHFFFAOYSA-N
Molecular Formula	C16H14O3

281

p-Phenetidine 98.0+%, TCI America™

CAS: 156-43-4 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.18 MDL Number: MFCD00007865 InChI Key: IMPPGHMHELILKG-UHFFFAOYSA-N Synonym: p-phenetidine,phenetidine,4-aminophenetole,p-ethoxyaniline,p-phenetidin,benzenamine, 4-ethoxy,phenethidine,p-aminophenetole,4-ethoxybenzenamine,1-amino-4-ethoxybenzene PubChem CID: 9076 ChEBI: CHEBI:85505 IUPAC Name: 4-ethoxyaniline SMILES: CCOC1=CC=C(N)C=C1

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Specifications

PubChem CID	9076
CAS	156-43-4
Molecular Weight (g/mol)	137.18
ChEBI	CHEBI:85505
MDL Number	MFCD00007865
SMILES	CCOC1=CC=C(N)C=C1
Synonym	p-phenetidine,phenetidine,4-aminophenetole,p-ethoxyaniline,p-phenetidin,benzenamine, 4-ethoxy,phenethidine,p-aminophenetole,4-ethoxybenzenamine,1-amino-4-ethoxybenzene
IUPAC Name	4-ethoxyaniline
InChI Key	IMPPGHMHELILKG-UHFFFAOYSA-N
Molecular Formula	C8H11NO

282

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4-Benzoylbenzoic acid, 99%

CAS: 611-95-0 Molecular Formula: C₁₄H₁₀O₃ Molecular Weight (g/mol): 226.23 MDL Number: MFCD00002560 InChI Key: IFQUPKAISSPFTE-UHFFFAOYSA-N Synonym: p-benzoylbenzoic acid,benzoic acid, 4-benzoyl,4-carboxybenzophenone,4-benzoyl-benzoic acid,4-phenylcarbonyl benzoic acid,benzoic acid, p-benzoyl,benzophenone-4-carboxylic acid,4-benzoyl benzoic acid,pubchem14544,acmc-209mpx PubChem CID: 69147 IUPAC Name: 4-benzoylbenzoic acid SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)O

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Specifications

PubChem CID	69147
CAS	611-95-0
Molecular Weight (g/mol)	226.23
MDL Number	MFCD00002560
SMILES	C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)O
Synonym	p-benzoylbenzoic acid,benzoic acid, 4-benzoyl,4-carboxybenzophenone,4-benzoyl-benzoic acid,4-phenylcarbonyl benzoic acid,benzoic acid, p-benzoyl,benzophenone-4-carboxylic acid,4-benzoyl benzoic acid,pubchem14544,acmc-209mpx
IUPAC Name	4-benzoylbenzoic acid
InChI Key	IFQUPKAISSPFTE-UHFFFAOYSA-N
Molecular Formula	C₁₄H₁₀O₃

283

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4-Methoxybenzylamine, 98%

CAS: 2393-23-9 Molecular Formula: C₈H₁₁NO Molecular Weight (g/mol): 137.18 InChI Key: IDPURXSQCKYKIJ-UHFFFAOYSA-N Synonym: 4-methoxybenzylamine,4-methoxyphenyl methanamine,benzenemethanamine, 4-methoxy,p-methoxybenzylamine,4-methoxy-benzylamine,anisylamine,benzylamine, p-methoxy,4-methoxybenzyl amine,1-4-methoxyphenyl methanamine,4-methoxyphenyl methylamine PubChem CID: 75452 ChEBI: CHEBI:49837 IUPAC Name: (4-methoxyphenyl)methanamine SMILES: COC1=CC=C(C=C1)CN

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Specifications

PubChem CID	75452
CAS	2393-23-9
Molecular Weight (g/mol)	137.18
ChEBI	CHEBI:49837
SMILES	COC1=CC=C(C=C1)CN
Synonym	4-methoxybenzylamine,4-methoxyphenyl methanamine,benzenemethanamine, 4-methoxy,p-methoxybenzylamine,4-methoxy-benzylamine,anisylamine,benzylamine, p-methoxy,4-methoxybenzyl amine,1-4-methoxyphenyl methanamine,4-methoxyphenyl methylamine
IUPAC Name	(4-methoxyphenyl)methanamine
InChI Key	IDPURXSQCKYKIJ-UHFFFAOYSA-N
Molecular Formula	C₈H₁₁NO

284

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4-Hydroxy-3-nitrobenzoic acid, 98%

CAS: 616-82-0 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.12 MDL Number: MFCD00007119 InChI Key: QRYSWXFQLFLJTC-UHFFFAOYSA-N Synonym: 4-hydroxy-3-nitrobenzoic acid,3-nitro-4-hydroxybenzoic acid,benzoic acid, 4-hydroxy-3-nitro,3-nitro-4-hydrobenzoic acid,4-hydroxy-3-nitro-benzoic acid,nhb,pubchem18981,acmc-1auqv,3,4-nitrohydroxybenzoic acid,ksc489q0p PubChem CID: 12033 IUPAC Name: 4-hydroxy-3-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(O)C(=C1)[N+]([O-])=O

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Specifications

PubChem CID	12033
CAS	616-82-0
Molecular Weight (g/mol)	183.12
MDL Number	MFCD00007119
SMILES	OC(=O)C1=CC=C(O)C(=C1)[N+]([O-])=O
Synonym	4-hydroxy-3-nitrobenzoic acid,3-nitro-4-hydroxybenzoic acid,benzoic acid, 4-hydroxy-3-nitro,3-nitro-4-hydrobenzoic acid,4-hydroxy-3-nitro-benzoic acid,nhb,pubchem18981,acmc-1auqv,3,4-nitrohydroxybenzoic acid,ksc489q0p
IUPAC Name	4-hydroxy-3-nitrobenzoic acid
InChI Key	QRYSWXFQLFLJTC-UHFFFAOYSA-N
Molecular Formula	C7H5NO5

285

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4-Hydroxy-3-nitrobenzaldehyde, 98%

CAS: 3011-34-5 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007117 InChI Key: YTHJCZRFJGXPTL-UHFFFAOYSA-N Synonym: 4-hydroxy-3-nitrobenzaldehyde,benzaldehyde, 4-hydroxy-3-nitro,3-nitro-4-hydroxybenzaldehyde,4-formyl-2-nitrophenol,4-hydroxy-3-nitro-benzaldehyde,pubchem8135,acmc-1cjnu,d03vzf,4-hydroxy-3-nitrobenzaldeyde,ksc223k5f PubChem CID: 18169 SMILES: C1=CC(=C(C=C1C=O)[N+](=O)[O-])O

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Specifications

PubChem CID	18169
CAS	3011-34-5
Molecular Weight (g/mol)	167.12
MDL Number	MFCD00007117
SMILES	C1=CC(=C(C=C1C=O)[N+](=O)[O-])O
Synonym	4-hydroxy-3-nitrobenzaldehyde,benzaldehyde, 4-hydroxy-3-nitro,3-nitro-4-hydroxybenzaldehyde,4-formyl-2-nitrophenol,4-hydroxy-3-nitro-benzaldehyde,pubchem8135,acmc-1cjnu,d03vzf,4-hydroxy-3-nitrobenzaldeyde,ksc223k5f
InChI Key	YTHJCZRFJGXPTL-UHFFFAOYSA-N
Molecular Formula	C7H5NO4

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