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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2,176 – 2,190 of 119,722 results

2,176

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Methyl 2-amino-3-bromo-5-methoxybenzoate, 96%, Thermo Scientific Chemicals

CAS: 1378874-22-6 Molecular Formula: C9H10BrNO3 Molecular Weight (g/mol): 260.087 MDL Number: MFCD20527215 InChI Key: WPRSGBOUSTUNEC-UHFFFAOYSA-N Synonym: 2-amino-3-bromo-5-methoxybenzoic acid methyl ester PubChem CID: 73995991 IUPAC Name: methyl 2-amino-3-bromo-5-methoxybenzoate SMILES: COC1=CC(=C(C(=C1)C(=O)OC)N)Br

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Specifications

PubChem CID	73995991
CAS	1378874-22-6
Molecular Weight (g/mol)	260.087
MDL Number	MFCD20527215
SMILES	COC1=CC(=C(C(=C1)C(=O)OC)N)Br
Synonym	2-amino-3-bromo-5-methoxybenzoic acid methyl ester
IUPAC Name	methyl 2-amino-3-bromo-5-methoxybenzoate
InChI Key	WPRSGBOUSTUNEC-UHFFFAOYSA-N
Molecular Formula	C9H10BrNO3

2,177

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Methyl 4-methoxybenzoate, 98+%

CAS: 121-98-2 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00008437 InChI Key: DDIZAANNODHTRB-UHFFFAOYSA-N Synonym: methyl anisate,methyl p-anisate,methyl p-methoxybenzoate,4-methoxybenzoic acid methyl ester,p-anisic acid, methyl ester,benzoic acid, 4-methoxy-, methyl ester,methyl 4-anisate,p-methoxybenzoic acid methyl ester,p-anisic acid methyl ester,benzoic acid, p-methoxy-, methyl ester PubChem CID: 8499 ChEBI: CHEBI:86903 IUPAC Name: methyl 4-methoxybenzoate SMILES: COC1=CC=C(C=C1)C(=O)OC

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Specifications

PubChem CID	8499
CAS	121-98-2
Molecular Weight (g/mol)	166.176
ChEBI	CHEBI:86903
MDL Number	MFCD00008437
SMILES	COC1=CC=C(C=C1)C(=O)OC
Synonym	methyl anisate,methyl p-anisate,methyl p-methoxybenzoate,4-methoxybenzoic acid methyl ester,p-anisic acid, methyl ester,benzoic acid, 4-methoxy-, methyl ester,methyl 4-anisate,p-methoxybenzoic acid methyl ester,p-anisic acid methyl ester,benzoic acid, p-methoxy-, methyl ester
IUPAC Name	methyl 4-methoxybenzoate
InChI Key	DDIZAANNODHTRB-UHFFFAOYSA-N
Molecular Formula	C9H10O3

2,178

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3-Ethoxy-4-methoxybenzoic acid, 98%

CAS: 2651-55-0 Molecular Formula: C10H11O4 Molecular Weight (g/mol): 195.20 MDL Number: MFCD00276591 InChI Key: DMSAIFTWQMXOBE-UHFFFAOYSA-M Synonym: benzoic acid,3-ethoxy-4-methoxy,maybridge1_005010,3-ethoxy-4-methoxybenzoicacid,acmc-1cqm3 PubChem CID: 2822957 IUPAC Name: 3-ethoxy-4-methoxybenzoic acid SMILES: CCOC1=CC(=CC=C1OC)C([O-])=O

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Specifications

PubChem CID	2822957
CAS	2651-55-0
Molecular Weight (g/mol)	195.20
MDL Number	MFCD00276591
SMILES	CCOC1=CC(=CC=C1OC)C([O-])=O
Synonym	benzoic acid,3-ethoxy-4-methoxy,maybridge1_005010,3-ethoxy-4-methoxybenzoicacid,acmc-1cqm3
IUPAC Name	3-ethoxy-4-methoxybenzoic acid
InChI Key	DMSAIFTWQMXOBE-UHFFFAOYSA-M
Molecular Formula	C10H11O4

2,179

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p-Anisic acid, 98%

CAS: 100-09-4 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002542 InChI Key: ZEYHEAKUIGZSGI-UHFFFAOYSA-N Synonym: p-anisic acid,anisic acid,p-methoxybenzoic acid,draconic acid,4-anisic acid,benzoic acid, 4-methoxy,anisic acid, para,4-methoxybenzoate,para-anisic acid,anisic acid, p-isomer PubChem CID: 7478 ChEBI: CHEBI:40813 IUPAC Name: 4-methoxybenzoic acid SMILES: COC1=CC=C(C=C1)C(O)=O

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Specifications

PubChem CID	7478
CAS	100-09-4
Molecular Weight (g/mol)	152.15
ChEBI	CHEBI:40813
MDL Number	MFCD00002542
SMILES	COC1=CC=C(C=C1)C(O)=O
Synonym	p-anisic acid,anisic acid,p-methoxybenzoic acid,draconic acid,4-anisic acid,benzoic acid, 4-methoxy,anisic acid, para,4-methoxybenzoate,para-anisic acid,anisic acid, p-isomer
IUPAC Name	4-methoxybenzoic acid
InChI Key	ZEYHEAKUIGZSGI-UHFFFAOYSA-N
Molecular Formula	C8H8O3

2,180

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5-Chlorovanillic acid, tech. 90%

CAS: 62936-23-6 Molecular Formula: C8H7ClO4 Molecular Weight (g/mol): 202.59 MDL Number: MFCD00016531 InChI Key: XBRYEHVBBMSSCG-UHFFFAOYSA-N PubChem CID: 44215 IUPAC Name: 3-chloro-4-hydroxy-5-methoxybenzoic acid SMILES: COC1=C(C(=CC(=C1)C(=O)O)Cl)O

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Specifications

PubChem CID	44215
CAS	62936-23-6
Molecular Weight (g/mol)	202.59
MDL Number	MFCD00016531
SMILES	COC1=C(C(=CC(=C1)C(=O)O)Cl)O
IUPAC Name	3-chloro-4-hydroxy-5-methoxybenzoic acid
InChI Key	XBRYEHVBBMSSCG-UHFFFAOYSA-N
Molecular Formula	C8H7ClO4

2,181

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Methyl 4-methoxysalicylate, 98%, Thermo Scientific™

CAS: 5446-02-6 Molecular Formula: C₉H₁₀O₄ Molecular Weight (g/mol): 182.18 MDL Number: MFCD00008424 InChI Key: ZICRWXFGZCVTBZ-UHFFFAOYSA-N Synonym: Methyle2-hydroxy-4-methoxybenzoate IUPAC Name: methyl 2-hydroxy-4-methoxybenzoate SMILES: COC(=O)C1=CC=C(OC)C=C1O

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CAS	5446-02-6
Molecular Weight (g/mol)	182.18
MDL Number	MFCD00008424
SMILES	COC(=O)C1=CC=C(OC)C=C1O
Synonym	Methyle2-hydroxy-4-methoxybenzoate
IUPAC Name	methyl 2-hydroxy-4-methoxybenzoate
InChI Key	ZICRWXFGZCVTBZ-UHFFFAOYSA-N
Molecular Formula	C₉H₁₀O₄

2,182

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2-Fluoro-5-methoxybenzoic acid, 97+%

CAS: 367-83-9 Molecular Formula: C8H7FO3 Molecular Weight (g/mol): 170.139 MDL Number: MFCD00272566 InChI Key: REDSLTKMNCCQBC-UHFFFAOYSA-N PubChem CID: 2774543 IUPAC Name: 2-fluoro-5-methoxybenzoic acid SMILES: COC1=CC(=C(C=C1)F)C(=O)O

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Specifications

PubChem CID	2774543
CAS	367-83-9
Molecular Weight (g/mol)	170.139
MDL Number	MFCD00272566
SMILES	COC1=CC(=C(C=C1)F)C(=O)O
IUPAC Name	2-fluoro-5-methoxybenzoic acid
InChI Key	REDSLTKMNCCQBC-UHFFFAOYSA-N
Molecular Formula	C8H7FO3

2,183

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4-Methoxy-2-methylbenzoic acid, 97%

CAS: 6245-57-4 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00020291 InChI Key: MSVRGYOYISBGTH-UHFFFAOYSA-N Synonym: 2-methyl-4-methoxybenzoic acid,4-methoxy-2-methyl-benzoic acid,2-methyl-p-anisic acid,benzoic acid, 4-methoxy-2-methyl,4-methoxy-o-toluic acid,acmc-209x9h,ksc495k2d,2-methyl-4-methoxybenzoicacid,2-methyl-4-methoxy-benzoic acid,4-methoxy-2-methyl benzoic acid PubChem CID: 597216 IUPAC Name: 4-methoxy-2-methylbenzoic acid SMILES: COC1=CC(C)=C(C=C1)C(O)=O

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Specifications

PubChem CID	597216
CAS	6245-57-4
Molecular Weight (g/mol)	166.18
MDL Number	MFCD00020291
SMILES	COC1=CC(C)=C(C=C1)C(O)=O
Synonym	2-methyl-4-methoxybenzoic acid,4-methoxy-2-methyl-benzoic acid,2-methyl-p-anisic acid,benzoic acid, 4-methoxy-2-methyl,4-methoxy-o-toluic acid,acmc-209x9h,ksc495k2d,2-methyl-4-methoxybenzoicacid,2-methyl-4-methoxy-benzoic acid,4-methoxy-2-methyl benzoic acid
IUPAC Name	4-methoxy-2-methylbenzoic acid
InChI Key	MSVRGYOYISBGTH-UHFFFAOYSA-N
Molecular Formula	C9H10O3

2,184

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2,3,4-Trimethoxybenzoic acid, 98+%

CAS: 573-11-5 Molecular Formula: C₁₀H₁₂O₅ Molecular Weight (g/mol): 212.2 MDL Number: MFCD00002433 InChI Key: HZNQSWJZTWOTKM-UHFFFAOYSA-N Synonym: benzoic acid, 2,3,4-trimethoxy,2,3,4-trimethoxybenzoicacid,2,3,4-trimethoxy-benzoic acid,trimethoxybenzoic acid,benzoic acid, trimethoxy,acmc-209lx4,ksc265s3r,2,3,4-trimethoxy benzoic acid,2,3,4-trimethoxybenzoic acid PubChem CID: 11308 IUPAC Name: 2,3,4-trimethoxybenzoic acid SMILES: COC1=C(C(=C(C=C1)C(=O)O)OC)OC

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Specifications

PubChem CID	11308
CAS	573-11-5
Molecular Weight (g/mol)	212.2
MDL Number	MFCD00002433
SMILES	COC1=C(C(=C(C=C1)C(=O)O)OC)OC
Synonym	benzoic acid, 2,3,4-trimethoxy,2,3,4-trimethoxybenzoicacid,2,3,4-trimethoxy-benzoic acid,trimethoxybenzoic acid,benzoic acid, trimethoxy,acmc-209lx4,ksc265s3r,2,3,4-trimethoxy benzoic acid,2,3,4-trimethoxybenzoic acid
IUPAC Name	2,3,4-trimethoxybenzoic acid
InChI Key	HZNQSWJZTWOTKM-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₂O₅

2,185

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3-Methoxy-4-methylbenzoic acid, 99%

CAS: 7151-68-0 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00002566 InChI Key: CEAVPXDEPGAVDA-UHFFFAOYSA-N Synonym: 4-methyl-m-anisic acid,3-methoxy-p-toluic acid,benzoic acid, 3-methoxy-4-methyl,3-methoxy-4-methyl-benzoic acid,3-methoxy-4-methyl benzoic acid,3-methoxy-p-toluic acid; 4-methyl-m-anisic acid,3-methoxy-4-methylbenzoicacid,pubchem2672,5-carboxy-2-methylanisole,acmc-209oj0 PubChem CID: 81579 IUPAC Name: 3-methoxy-4-methylbenzoic acid SMILES: COC1=CC(=CC=C1C)C(O)=O

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Specifications

PubChem CID	81579
CAS	7151-68-0
Molecular Weight (g/mol)	166.18
MDL Number	MFCD00002566
SMILES	COC1=CC(=CC=C1C)C(O)=O
Synonym	4-methyl-m-anisic acid,3-methoxy-p-toluic acid,benzoic acid, 3-methoxy-4-methyl,3-methoxy-4-methyl-benzoic acid,3-methoxy-4-methyl benzoic acid,3-methoxy-p-toluic acid; 4-methyl-m-anisic acid,3-methoxy-4-methylbenzoicacid,pubchem2672,5-carboxy-2-methylanisole,acmc-209oj0
IUPAC Name	3-methoxy-4-methylbenzoic acid
InChI Key	CEAVPXDEPGAVDA-UHFFFAOYSA-N
Molecular Formula	C9H10O3

2,186

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(alpha,alpha,alpha-Trifluoro-p-tolyl)acetic acid, 98%

CAS: 32857-62-8 Molecular Formula: C9H7F3O2 Molecular Weight (g/mol): 204.15 MDL Number: MFCD00004352 InChI Key: HNORVZDAANCHAY-UHFFFAOYSA-N Synonym: 4-trifluoromethyl phenylacetic acid,2-4-trifluoromethyl phenyl acetic acid,4-trifluoromethylphenylacetic acid,4-trifluoromethyl phenyl acetic acid,alpha,alpha,alpha-trifluoro-p-tolyl acetic acid,benzeneacetic acid, 4-trifluoromethyl,p-trifluoromethyl phenylacetic acid,p-trifluoromethylphenylacetic acid,alpha,alpha,alpha-trifluoro-4-tolyl acetic acid PubChem CID: 118342 IUPAC Name: 2-[4-(trifluoromethyl)phenyl]acetic acid SMILES: OC(=O)CC1=CC=C(C=C1)C(F)(F)F

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Specifications

PubChem CID	118342
CAS	32857-62-8
Molecular Weight (g/mol)	204.15
MDL Number	MFCD00004352
SMILES	OC(=O)CC1=CC=C(C=C1)C(F)(F)F
Synonym	4-trifluoromethyl phenylacetic acid,2-4-trifluoromethyl phenyl acetic acid,4-trifluoromethylphenylacetic acid,4-trifluoromethyl phenyl acetic acid,alpha,alpha,alpha-trifluoro-p-tolyl acetic acid,benzeneacetic acid, 4-trifluoromethyl,p-trifluoromethyl phenylacetic acid,p-trifluoromethylphenylacetic acid,alpha,alpha,alpha-trifluoro-4-tolyl acetic acid
IUPAC Name	2-[4-(trifluoromethyl)phenyl]acetic acid
InChI Key	HNORVZDAANCHAY-UHFFFAOYSA-N
Molecular Formula	C9H7F3O2

2,187

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2-Bromo-5-nitroaniline, 98%

CAS: 10403-47-1 Molecular Formula: C₆H₅BrN₂O₂ Molecular Weight (g/mol): 217.02 MDL Number: MFCD00051578 InChI Key: BAAUCXCLMDAZEL-UHFFFAOYSA-N Synonym: benzenamine, 2-bromo-5-nitro,2-bromo-5-nitrobenzenamine,3-amino-4-bromonitrobenzene,2-bromo-5-nitro-phenylamine,2-bromo-5-nitrophenylamine,pubchem21903,2-bromo 5-nitroaniline,2-bromo-5-nitro-aniline,2-bromo-5-nitro aniline,acmc-2098ai PubChem CID: 82607 IUPAC Name: 2-bromo-5-nitroaniline SMILES: C1=CC(=C(C=C1[N+](=O)[O-])N)Br

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Specifications

PubChem CID	82607
CAS	10403-47-1
Molecular Weight (g/mol)	217.02
MDL Number	MFCD00051578
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])N)Br
Synonym	benzenamine, 2-bromo-5-nitro,2-bromo-5-nitrobenzenamine,3-amino-4-bromonitrobenzene,2-bromo-5-nitro-phenylamine,2-bromo-5-nitrophenylamine,pubchem21903,2-bromo 5-nitroaniline,2-bromo-5-nitro-aniline,2-bromo-5-nitro aniline,acmc-2098ai
IUPAC Name	2-bromo-5-nitroaniline
InChI Key	BAAUCXCLMDAZEL-UHFFFAOYSA-N
Molecular Formula	C₆H₅BrN₂O₂

2,188

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Benzophenone oxime, 98%

CAS: 574-66-3 Molecular Formula: C13H11NO Molecular Weight (g/mol): 197.24 MDL Number: MFCD00051461 InChI Key: DNYZBFWKVMKMRM-UHFFFAOYSA-N Synonym: benzophenone oxime,diphenylmethanone oxime,benzophenoxime,methanone, diphenyl-, oxime,diphenyl ketoxime,benzophenoneoxime,diphenylmethylene hydroxylamine,benzophenone, oxime,unii-2dlj8c37dq,diphenylketone oxime PubChem CID: 11324 IUPAC Name: N-benzhydrylidenehydroxylamine SMILES: ON=C(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	11324
CAS	574-66-3
Molecular Weight (g/mol)	197.24
MDL Number	MFCD00051461
SMILES	ON=C(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	benzophenone oxime,diphenylmethanone oxime,benzophenoxime,methanone, diphenyl-, oxime,diphenyl ketoxime,benzophenoneoxime,diphenylmethylene hydroxylamine,benzophenone, oxime,unii-2dlj8c37dq,diphenylketone oxime
IUPAC Name	N-benzhydrylidenehydroxylamine
InChI Key	DNYZBFWKVMKMRM-UHFFFAOYSA-N
Molecular Formula	C13H11NO

2,189

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4-bromo-2-fluorobenzyl Chloride, 98%, Thermo Scientific™

CAS: 85510-82-3 Molecular Formula: C7H5BrClF Molecular Weight (g/mol): 223.47 MDL Number: MFCD02094036 InChI Key: UDKQGFMDBMYVHI-UHFFFAOYSA-N Synonym: 4-bromo-2-fluorobenzyl chloride,4-bromo-1-chloromethyl-2-fluorobenzene,4-bromo-2-fluorobenzylchloride,4-bromo-1-chloromethyl-2-fluoro-benzene,acmc-209q6a,2-fluoro-4-bromo-chloromethylbenzene PubChem CID: 2773361 IUPAC Name: 4-bromo-1-(chloromethyl)-2-fluorobenzene SMILES: FC1=CC(Br)=CC=C1CCl

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Specifications

PubChem CID	2773361
CAS	85510-82-3
Molecular Weight (g/mol)	223.47
MDL Number	MFCD02094036
SMILES	FC1=CC(Br)=CC=C1CCl
Synonym	4-bromo-2-fluorobenzyl chloride,4-bromo-1-chloromethyl-2-fluorobenzene,4-bromo-2-fluorobenzylchloride,4-bromo-1-chloromethyl-2-fluoro-benzene,acmc-209q6a,2-fluoro-4-bromo-chloromethylbenzene
IUPAC Name	4-bromo-1-(chloromethyl)-2-fluorobenzene
InChI Key	UDKQGFMDBMYVHI-UHFFFAOYSA-N
Molecular Formula	C7H5BrClF

2,190

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(R)-(+)-1-Phenyl-1-propanol, 99%

CAS: 1565-74-8 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00064279 InChI Key: DYUQAZSOFZSPHD-SECBINFHSA-N Synonym: r-+-1-phenyl-1-propanol,r-1-phenylpropan-1-ol,1r-1-phenylpropan-1-ol,r-1-phenyl-1-propanol,r-1-phenyl-propanol,r-+-alpha-ethylbenzyl alcohol,r-+-1-phenylpropanol,r-1-phenylpropanol,1-phenyl-1-propanol #,r-1-phenyl-1propanol PubChem CID: 640199 IUPAC Name: (1R)-1-phenylpropan-1-ol SMILES: CCC(C1=CC=CC=C1)O

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Specifications

PubChem CID	640199
CAS	1565-74-8
Molecular Weight (g/mol)	136.194
MDL Number	MFCD00064279
SMILES	CCC(C1=CC=CC=C1)O
Synonym	r-+-1-phenyl-1-propanol,r-1-phenylpropan-1-ol,1r-1-phenylpropan-1-ol,r-1-phenyl-1-propanol,r-1-phenyl-propanol,r-+-alpha-ethylbenzyl alcohol,r-+-1-phenylpropanol,r-1-phenylpropanol,1-phenyl-1-propanol #,r-1-phenyl-1propanol
IUPAC Name	(1R)-1-phenylpropan-1-ol
InChI Key	DYUQAZSOFZSPHD-SECBINFHSA-N
Molecular Formula	C9H12O

Benzene and substituted derivatives

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