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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5,191 – 5,205 of 75,002 results

5,191

2-(p-Tolyl)benzoic Acid 98.0+%, TCI America™

CAS: 7148-03-0 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.248 MDL Number: MFCD00045826 InChI Key: ZSTUEICKYWFYIC-UHFFFAOYSA-N PubChem CID: 81568 IUPAC Name: 2-(4-methylphenyl)benzoic acid SMILES: CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)O

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Specifications

PubChem CID	81568
CAS	7148-03-0
Molecular Weight (g/mol)	212.248
MDL Number	MFCD00045826
SMILES	CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)O
IUPAC Name	2-(4-methylphenyl)benzoic acid
InChI Key	ZSTUEICKYWFYIC-UHFFFAOYSA-N
Molecular Formula	C14H12O2

5,192

4-(trans-4-Butylcyclohexyl)phenol 98.0+%, TCI America™

CAS: 88581-00-4 Molecular Formula: C16H24O Molecular Weight (g/mol): 232.367 MDL Number: MFCD00673752 InChI Key: SJXVTMAQPHVBEG-UHFFFAOYSA-N Synonym: 1-(trans-4-Butylcyclohexyl)-4-hydroxybenzene PubChem CID: 19845546 IUPAC Name: 4-(4-butylcyclohexyl)phenol SMILES: CCCCC1CCC(CC1)C2=CC=C(C=C2)O

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Specifications

PubChem CID	19845546
CAS	88581-00-4
Molecular Weight (g/mol)	232.367
MDL Number	MFCD00673752
SMILES	CCCCC1CCC(CC1)C2=CC=C(C=C2)O
Synonym	1-(trans-4-Butylcyclohexyl)-4-hydroxybenzene
IUPAC Name	4-(4-butylcyclohexyl)phenol
InChI Key	SJXVTMAQPHVBEG-UHFFFAOYSA-N
Molecular Formula	C16H24O

5,193

1,4-Diisopropenylbenzene 98.0+%, TCI America™

CAS: 1605-18-1 Molecular Formula: C12H14 Molecular Weight (g/mol): 158.24 MDL Number: MFCD00043637 InChI Key: ZENYUPUKNXGVDY-UHFFFAOYSA-N Synonym: 1,4-diisopropenylbenzene,p-diisopropenylbenzene,1,4-di prop-1-en-2-yl benzene,benzene, 1,4-bis 1-methylethenyl,1,4-bis 1-methylvinyl benzene,benzene, p-diisopropenyl,1,4-bis 1-methylethenyl benzene,unii-c25d5lmf5s,p-isopropenyl-alpha-methylstyrene,1,4-bis prop-1-en-2-yl benzene PubChem CID: 74148 IUPAC Name: 1,4-bis(prop-1-en-2-yl)benzene SMILES: CC(=C)C1=CC=C(C=C1)C(C)=C

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Specifications

PubChem CID	74148
CAS	1605-18-1
Molecular Weight (g/mol)	158.24
MDL Number	MFCD00043637
SMILES	CC(=C)C1=CC=C(C=C1)C(C)=C
Synonym	1,4-diisopropenylbenzene,p-diisopropenylbenzene,1,4-di prop-1-en-2-yl benzene,benzene, 1,4-bis 1-methylethenyl,1,4-bis 1-methylvinyl benzene,benzene, p-diisopropenyl,1,4-bis 1-methylethenyl benzene,unii-c25d5lmf5s,p-isopropenyl-alpha-methylstyrene,1,4-bis prop-1-en-2-yl benzene
IUPAC Name	1,4-bis(prop-1-en-2-yl)benzene
InChI Key	ZENYUPUKNXGVDY-UHFFFAOYSA-N
Molecular Formula	C12H14

5,194

Ethyl 2,4-Difluorobenzoate 98.0+%, TCI America™

CAS: 108928-00-3 Molecular Formula: C9H8F2O2 Molecular Weight (g/mol): 186.16 MDL Number: MFCD00153149 InChI Key: OPQFYGPAOVCNEQ-UHFFFAOYSA-N Synonym: 2,4-difluorobenzoic acid ethyl ester,2,4-difluoro-benzoic acid ethyl ester,pubchem3467,acmc-209w2m,ethyl-2,4-difluorobenzoate,ethyl 2,4-di-fluorobenzoate,rarechem al bi 0213,ethyl2,4-difluorobenzoate,2,4 ethyl-difluorobenzoate,2,4-difluorobenzoic acid, ethyl ester PubChem CID: 2737170 IUPAC Name: ethyl 2,4-difluorobenzoate SMILES: CCOC(=O)C1=CC=C(F)C=C1F

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Specifications

PubChem CID	2737170
CAS	108928-00-3
Molecular Weight (g/mol)	186.16
MDL Number	MFCD00153149
SMILES	CCOC(=O)C1=CC=C(F)C=C1F
Synonym	2,4-difluorobenzoic acid ethyl ester,2,4-difluoro-benzoic acid ethyl ester,pubchem3467,acmc-209w2m,ethyl-2,4-difluorobenzoate,ethyl 2,4-di-fluorobenzoate,rarechem al bi 0213,ethyl2,4-difluorobenzoate,2,4 ethyl-difluorobenzoate,2,4-difluorobenzoic acid, ethyl ester
IUPAC Name	ethyl 2,4-difluorobenzoate
InChI Key	OPQFYGPAOVCNEQ-UHFFFAOYSA-N
Molecular Formula	C9H8F2O2

5,195

Methyl 4-Bromo-3-chlorobenzoate 96.0+%, TCI America™

CAS: 117738-74-6 Molecular Formula: C8H6BrClO2 Molecular Weight (g/mol): 249.49 MDL Number: MFCD11045619 InChI Key: BPJMNAWSHVKGHE-UHFFFAOYSA-N Synonym: 4-Bromo-3-chlorobenzoic Acid Methyl Ester PubChem CID: 22366763 IUPAC Name: methyl 4-bromo-3-chlorobenzoate SMILES: COC(=O)C1=CC(Cl)=C(Br)C=C1

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Specifications

PubChem CID	22366763
CAS	117738-74-6
Molecular Weight (g/mol)	249.49
MDL Number	MFCD11045619
SMILES	COC(=O)C1=CC(Cl)=C(Br)C=C1
Synonym	4-Bromo-3-chlorobenzoic Acid Methyl Ester
IUPAC Name	methyl 4-bromo-3-chlorobenzoate
InChI Key	BPJMNAWSHVKGHE-UHFFFAOYSA-N
Molecular Formula	C8H6BrClO2

5,196

4,5-Dimethoxy-2-nitrobenzonitrile 98.0+%, TCI America™

CAS: 102714-71-6 Molecular Formula: C9H8N2O4 Molecular Weight (g/mol): 208.173 InChI Key: NQSQQGDTYKGCOT-UHFFFAOYSA-N Synonym: 1-Cyano-4,5-dimethoxy-2-nitrobenzene, 6-Nitroveratronitrile PubChem CID: 1511288 IUPAC Name: 4,5-dimethoxy-2-nitrobenzonitrile SMILES: COC1=C(C=C(C(=C1)C#N)[N+](=O)[O-])OC

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Specifications

PubChem CID	1511288
CAS	102714-71-6
Molecular Weight (g/mol)	208.173
SMILES	COC1=C(C=C(C(=C1)C#N)[N+](=O)[O-])OC
Synonym	1-Cyano-4,5-dimethoxy-2-nitrobenzene, 6-Nitroveratronitrile
IUPAC Name	4,5-dimethoxy-2-nitrobenzonitrile
InChI Key	NQSQQGDTYKGCOT-UHFFFAOYSA-N
Molecular Formula	C9H8N2O4

5,197

2-Chloro-4-nitroanisole 98.0+%, TCI America™

CAS: 4920-79-0 Molecular Formula: C7H6ClNO3 Molecular Weight (g/mol): 187.579 MDL Number: MFCD00060681 InChI Key: DLJPNXLHWMRQIQ-UHFFFAOYSA-N Synonym: 3-Chloro-4-methoxynitrobenzene PubChem CID: 21027 IUPAC Name: 2-chloro-1-methoxy-4-nitrobenzene SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])Cl

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Specifications

PubChem CID	21027
CAS	4920-79-0
Molecular Weight (g/mol)	187.579
MDL Number	MFCD00060681
SMILES	COC1=C(C=C(C=C1)[N+](=O)[O-])Cl
Synonym	3-Chloro-4-methoxynitrobenzene
IUPAC Name	2-chloro-1-methoxy-4-nitrobenzene
InChI Key	DLJPNXLHWMRQIQ-UHFFFAOYSA-N
Molecular Formula	C7H6ClNO3

5,198

2-Fluoro-p-anisaldehyde 96.0+%, TCI America™

CAS: 331-64-6 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00236679 InChI Key: UNWQNFJBBWXFBG-UHFFFAOYSA-N Synonym: 2-fluoro-p-anisaldehyde,2-fluoro-4-methoxy-benzaldehyde,2-fluoro-4-methoxy benzaldehyde,benzaldehyde, 2-fluoro-4-methoxy,2-fluoro-4-methoxybenzaldhyde,pubchem1447,acmc-209hyt,3-fluoro-4-formylanisole,2-fluor-4-methoxybenzaldehyd PubChem CID: 2734873 IUPAC Name: 2-fluoro-4-methoxybenzaldehyde SMILES: COC1=CC=C(C=O)C(F)=C1

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Specifications

PubChem CID	2734873
CAS	331-64-6
Molecular Weight (g/mol)	154.14
MDL Number	MFCD00236679
SMILES	COC1=CC=C(C=O)C(F)=C1
Synonym	2-fluoro-p-anisaldehyde,2-fluoro-4-methoxy-benzaldehyde,2-fluoro-4-methoxy benzaldehyde,benzaldehyde, 2-fluoro-4-methoxy,2-fluoro-4-methoxybenzaldhyde,pubchem1447,acmc-209hyt,3-fluoro-4-formylanisole,2-fluor-4-methoxybenzaldehyd
IUPAC Name	2-fluoro-4-methoxybenzaldehyde
InChI Key	UNWQNFJBBWXFBG-UHFFFAOYSA-N
Molecular Formula	C8H7FO2

5,199

1-Bromo-2,3-difluorobenzene 98.0+%, TCI America™

CAS: 38573-88-5 Molecular Formula: C6H3BrF2 Molecular Weight (g/mol): 192.991 MDL Number: MFCD00061136 InChI Key: RKWWASUTWAFKHA-UHFFFAOYSA-N Synonym: 2,3-difluorobromobenzene,2,3-difluorobrmorobenzene,1-bromo-2,3-difluoro-benzene,3-bromo-1,2-difluorobenzene,difluorobromobenzene,pubchem1041,acmc-1aibi,2,3-diflurobromobenzene,2,3-difluorophenyl bromide,2,3-difluoro-1-bromobenzene PubChem CID: 2733260 IUPAC Name: 1-bromo-2,3-difluorobenzene SMILES: C1=CC(=C(C(=C1)Br)F)F

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Specifications

PubChem CID	2733260
CAS	38573-88-5
Molecular Weight (g/mol)	192.991
MDL Number	MFCD00061136
SMILES	C1=CC(=C(C(=C1)Br)F)F
Synonym	2,3-difluorobromobenzene,2,3-difluorobrmorobenzene,1-bromo-2,3-difluoro-benzene,3-bromo-1,2-difluorobenzene,difluorobromobenzene,pubchem1041,acmc-1aibi,2,3-diflurobromobenzene,2,3-difluorophenyl bromide,2,3-difluoro-1-bromobenzene
IUPAC Name	1-bromo-2,3-difluorobenzene
InChI Key	RKWWASUTWAFKHA-UHFFFAOYSA-N
Molecular Formula	C6H3BrF2

5,200

2-Bromo-1,3-difluoro-5-iodobenzene 98.0+%, TCI America™

CAS: 155906-10-8 Molecular Formula: C6H2BrF2I Molecular Weight (g/mol): 318.89 MDL Number: MFCD06797752 InChI Key: WOLGNRYEQPISPB-UHFFFAOYSA-N PubChem CID: 2761406 IUPAC Name: 2-bromo-1,3-difluoro-5-iodobenzene SMILES: FC1=CC(I)=CC(F)=C1Br

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Specifications

PubChem CID	2761406
CAS	155906-10-8
Molecular Weight (g/mol)	318.89
MDL Number	MFCD06797752
SMILES	FC1=CC(I)=CC(F)=C1Br
IUPAC Name	2-bromo-1,3-difluoro-5-iodobenzene
InChI Key	WOLGNRYEQPISPB-UHFFFAOYSA-N
Molecular Formula	C6H2BrF2I

5,201

Potassium 2,4,5-Trichlorophenoxyacetate 98.0+%, TCI America™

CAS: 37785-57-2 Molecular Formula: C8H4Cl3KO3 Molecular Weight (g/mol): 293.565 MDL Number: MFCD00191590 InChI Key: LUDUIQAQFKIYND-UHFFFAOYSA-M Synonym: 2,4,5-Trichlorophenoxyacetic Acid Potassium Salt, 2,4,5-T Potassium Salt PubChem CID: 23684557 IUPAC Name: potassium;2-(2,4,5-trichlorophenoxy)acetate SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)[O-].[K+]

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Specifications

PubChem CID	23684557
CAS	37785-57-2
Molecular Weight (g/mol)	293.565
MDL Number	MFCD00191590
SMILES	C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)[O-].[K+]
Synonym	2,4,5-Trichlorophenoxyacetic Acid Potassium Salt, 2,4,5-T Potassium Salt
IUPAC Name	potassium;2-(2,4,5-trichlorophenoxy)acetate
InChI Key	LUDUIQAQFKIYND-UHFFFAOYSA-M
Molecular Formula	C8H4Cl3KO3

5,202

2-(5-tert-Butyl-2-hydroxyphenyl)benzotriazole 98.0+%, TCI America™

CAS: 3147-76-0 Molecular Formula: C16H17N3O Molecular Weight (g/mol): 267.332 MDL Number: MFCD03844795 InChI Key: WXHVQMGINBSVAY-UHFFFAOYSA-N PubChem CID: 76605 IUPAC Name: 2-(benzotriazol-2-yl)-4-tert-butylphenol SMILES: CC(C)(C)C1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2

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Specifications

PubChem CID	76605
CAS	3147-76-0
Molecular Weight (g/mol)	267.332
MDL Number	MFCD03844795
SMILES	CC(C)(C)C1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2
IUPAC Name	2-(benzotriazol-2-yl)-4-tert-butylphenol
InChI Key	WXHVQMGINBSVAY-UHFFFAOYSA-N
Molecular Formula	C16H17N3O

5,203

4-Cyano-4'-undecylbiphenyl 98.0+%, TCI America™

CAS: 65860-74-4 Molecular Formula: C24H31N Molecular Weight (g/mol): 333.519 MDL Number: MFCD00505991 InChI Key: YIJBPYUXIFSTAP-UHFFFAOYSA-N Synonym: 4′C-Undecyl-4-biphenylcarbonitrile, 4′C-Undecyl-[1,1′C-biphenyl]-4-carbonitrile, 11CB PubChem CID: 105224 IUPAC Name: 4-(4-undecylphenyl)benzonitrile SMILES: CCCCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

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Specifications

PubChem CID	105224
CAS	65860-74-4
Molecular Weight (g/mol)	333.519
MDL Number	MFCD00505991
SMILES	CCCCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
Synonym	4′C-Undecyl-4-biphenylcarbonitrile, 4′C-Undecyl-[1,1′C-biphenyl]-4-carbonitrile, 11CB
IUPAC Name	4-(4-undecylphenyl)benzonitrile
InChI Key	YIJBPYUXIFSTAP-UHFFFAOYSA-N
Molecular Formula	C24H31N

5,204

Sodium 3-Methylsalicylate 97.0+%, TCI America™

CAS: 32768-20-0 Molecular Formula: C8H7NaO3 Molecular Weight (g/mol): 174.131 MDL Number: MFCD00058985 InChI Key: ODAXNLPYGWAGTH-UHFFFAOYSA-M Synonym: o-Cresotic Acid Sodium Salt, 2-Hydroxy-3-methylbenzoic Acid Sodium Salt, 2-Hydroxy-m-toluic Acid Sodium Salt, Sodium 2-Hydroxy-3-methylbenzoate, 3-Methylsalicylic Acid Sodium Salt PubChem CID: 23668291 IUPAC Name: sodium;2-hydroxy-3-methylbenzoate SMILES: CC1=CC=CC(=C1O)C(=O)[O-].[Na+]

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Specifications

PubChem CID	23668291
CAS	32768-20-0
Molecular Weight (g/mol)	174.131
MDL Number	MFCD00058985
SMILES	CC1=CC=CC(=C1O)C(=O)[O-].[Na+]
Synonym	o-Cresotic Acid Sodium Salt, 2-Hydroxy-3-methylbenzoic Acid Sodium Salt, 2-Hydroxy-m-toluic Acid Sodium Salt, Sodium 2-Hydroxy-3-methylbenzoate, 3-Methylsalicylic Acid Sodium Salt
IUPAC Name	sodium;2-hydroxy-3-methylbenzoate
InChI Key	ODAXNLPYGWAGTH-UHFFFAOYSA-M
Molecular Formula	C8H7NaO3

5,205

3-Fluoro-4-(trifluoromethyl)benzonitrile 99.0+%, TCI America™

CAS: 231953-38-1 Molecular Formula: C8H3F4N Molecular Weight (g/mol): 189.113 MDL Number: MFCD00236280 InChI Key: CFPNGJCBTZAVDN-UHFFFAOYSA-N Synonym: 3-fluoro-4-trifluoromethyl benzonitrile,4-cyano-2-fluorobenzotrifluoride,benzonitrile, 3-fluoro-4-trifluoromethyl,3-fluoro-4-trifluoromethyl benzenecarbonitrile,alpha,alpha,alpha,3-tetrafluoro-p-tolunitrile,pubchem4800,acmc-1cq1l,intermediates-zcf02625,ksc495o7j,3-fluoro-4-trifluoromethyl-benzonitrile PubChem CID: 2737550 IUPAC Name: 3-fluoro-4-(trifluoromethyl)benzonitrile SMILES: C1=CC(=C(C=C1C#N)F)C(F)(F)F

Pricing & Availability
Specifications

PubChem CID	2737550
CAS	231953-38-1
Molecular Weight (g/mol)	189.113
MDL Number	MFCD00236280
SMILES	C1=CC(=C(C=C1C#N)F)C(F)(F)F
Synonym	3-fluoro-4-trifluoromethyl benzonitrile,4-cyano-2-fluorobenzotrifluoride,benzonitrile, 3-fluoro-4-trifluoromethyl,3-fluoro-4-trifluoromethyl benzenecarbonitrile,alpha,alpha,alpha,3-tetrafluoro-p-tolunitrile,pubchem4800,acmc-1cq1l,intermediates-zcf02625,ksc495o7j,3-fluoro-4-trifluoromethyl-benzonitrile
IUPAC Name	3-fluoro-4-(trifluoromethyl)benzonitrile
InChI Key	CFPNGJCBTZAVDN-UHFFFAOYSA-N
Molecular Formula	C8H3F4N

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