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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7,546 – 7,560 of 77,726 results

7,546

4-Bromo-2-methylaniline 98.0+%, TCI America™

CAS: 583-75-5 Molecular Formula: C7H8BrN Molecular Weight (g/mol): 186.05 MDL Number: MFCD00007825 InChI Key: PCHYYOCUCGCSBU-UHFFFAOYSA-N Synonym: 2-amino-5-bromotoluene,4-bromo-o-toluidine,2-methyl-4-bromoaniline,benzenamine, 4-bromo-2-methyl,o-toluidine, 4-bromo,4-bromo-2-methyl-phenylamine,4-bromo-2-methylbenzenamine,5-bromo-2-aminotoluene,1-amino-4-bromo-2-methylbenzene,4-bromo-2-methylbenenamine PubChem CID: 11423 IUPAC Name: 4-bromo-2-methylaniline SMILES: CC1=CC(Br)=CC=C1N

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Specifications

PubChem CID	11423
CAS	583-75-5
Molecular Weight (g/mol)	186.05
MDL Number	MFCD00007825
SMILES	CC1=CC(Br)=CC=C1N
Synonym	2-amino-5-bromotoluene,4-bromo-o-toluidine,2-methyl-4-bromoaniline,benzenamine, 4-bromo-2-methyl,o-toluidine, 4-bromo,4-bromo-2-methyl-phenylamine,4-bromo-2-methylbenzenamine,5-bromo-2-aminotoluene,1-amino-4-bromo-2-methylbenzene,4-bromo-2-methylbenenamine
IUPAC Name	4-bromo-2-methylaniline
InChI Key	PCHYYOCUCGCSBU-UHFFFAOYSA-N
Molecular Formula	C7H8BrN

7,547

N-Ethoxycarbonyl-3-nitro-o-toluidine, TCI America™

CAS: 381670-28-6 Molecular Formula: C10H12N2O4 Molecular Weight (g/mol): 224.22 MDL Number: MFCD00059819 InChI Key: UTVICKYWFUXPCS-UHFFFAOYSA-N Synonym: N-Carbethoxy-3-nitro-o-toluidine, Ethyl 2-Methyl-3-nitrophenylcarbamate, N-(3-Nitro-2-methylphenyl)urethan PubChem CID: 7016557 IUPAC Name: ethyl N-(2-methyl-3-nitrophenyl)carbamate SMILES: CCOC(=O)NC1=C(C)C(=CC=C1)[N+]([O-])=O

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Specifications

PubChem CID	7016557
CAS	381670-28-6
Molecular Weight (g/mol)	224.22
MDL Number	MFCD00059819
SMILES	CCOC(=O)NC1=C(C)C(=CC=C1)[N+]([O-])=O
Synonym	N-Carbethoxy-3-nitro-o-toluidine, Ethyl 2-Methyl-3-nitrophenylcarbamate, N-(3-Nitro-2-methylphenyl)urethan
IUPAC Name	ethyl N-(2-methyl-3-nitrophenyl)carbamate
InChI Key	UTVICKYWFUXPCS-UHFFFAOYSA-N
Molecular Formula	C10H12N2O4

7,548

2'-Methyl-3'-nitroacetanilide 98.0+%, TCI America™

CAS: 56207-36-4 Molecular Formula: C9H10N2O3 Molecular Weight (g/mol): 194.19 MDL Number: MFCD01047363 InChI Key: NMYFXIITWKKOKY-UHFFFAOYSA-N PubChem CID: 151316 IUPAC Name: N-(2-methyl-3-nitrophenyl)acetamide SMILES: CC(=O)NC1=CC=CC(=C1C)[N+]([O-])=O

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Specifications

PubChem CID	151316
CAS	56207-36-4
Molecular Weight (g/mol)	194.19
MDL Number	MFCD01047363
SMILES	CC(=O)NC1=CC=CC(=C1C)[N+]([O-])=O
IUPAC Name	N-(2-methyl-3-nitrophenyl)acetamide
InChI Key	NMYFXIITWKKOKY-UHFFFAOYSA-N
Molecular Formula	C9H10N2O3

7,549

4-Amyloxybenzoic Acid 98.0+%, TCI America™

CAS: 15872-41-0 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.257 MDL Number: MFCD00013990 InChI Key: OZPPUPJQRJYTNY-UHFFFAOYSA-N Synonym: 4-pentyloxybenzoic acid,4-pentyloxy benzoic acid,4-n-pentyloxybenzoic acid,benzoic acid, 4-pentyloxy,p-pentyloxybenzoic acid,4-n-amyloxybenzoic acid,p-pentoxybenzoic acid,p-n-pentyloxybenzoic acid,4-amyloxybenzoic acid,p-pentyloxy benzoic acid PubChem CID: 85153 IUPAC Name: 4-pentoxybenzoic acid SMILES: CCCCCOC1=CC=C(C=C1)C(=O)O

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Specifications

PubChem CID	85153
CAS	15872-41-0
Molecular Weight (g/mol)	208.257
MDL Number	MFCD00013990
SMILES	CCCCCOC1=CC=C(C=C1)C(=O)O
Synonym	4-pentyloxybenzoic acid,4-pentyloxy benzoic acid,4-n-pentyloxybenzoic acid,benzoic acid, 4-pentyloxy,p-pentyloxybenzoic acid,4-n-amyloxybenzoic acid,p-pentoxybenzoic acid,p-n-pentyloxybenzoic acid,4-amyloxybenzoic acid,p-pentyloxy benzoic acid
IUPAC Name	4-pentoxybenzoic acid
InChI Key	OZPPUPJQRJYTNY-UHFFFAOYSA-N
Molecular Formula	C12H16O3

7,550

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

CAS: 52364-72-4 Molecular Formula: C20H23NO Molecular Weight (g/mol): 293.41 MDL Number: MFCD00134146 InChI Key: JPBFKTCKZLMJED-UHFFFAOYSA-N Synonym: 4'-heptyloxy-4-cyanobiphenyl,4-cyano-4'-heptyloxybiphenyl,4'-heptyloxy-1,1'-biphenyl-4-carbonitrile,4'-heptyloxy biphenyl-4-carbonitrile,7cob,1,1'-biphenyl-4-carbonitrile, 4'-heptyloxy,4-heptyloxycyanodiphenyl,4-cyano-4'-heptoxybiphenyl,4-4-heptoxyphenyl benzonitrile,4-4-heptyloxyphenyl benzonitrile PubChem CID: 104172 IUPAC Name: 4-(4-heptoxyphenyl)benzonitrile SMILES: CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

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Specifications

PubChem CID	104172
CAS	52364-72-4
Molecular Weight (g/mol)	293.41
MDL Number	MFCD00134146
SMILES	CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
Synonym	4'-heptyloxy-4-cyanobiphenyl,4-cyano-4'-heptyloxybiphenyl,4'-heptyloxy-1,1'-biphenyl-4-carbonitrile,4'-heptyloxy biphenyl-4-carbonitrile,7cob,1,1'-biphenyl-4-carbonitrile, 4'-heptyloxy,4-heptyloxycyanodiphenyl,4-cyano-4'-heptoxybiphenyl,4-4-heptoxyphenyl benzonitrile,4-4-heptyloxyphenyl benzonitrile
IUPAC Name	4-(4-heptoxyphenyl)benzonitrile
InChI Key	JPBFKTCKZLMJED-UHFFFAOYSA-N
Molecular Formula	C20H23NO

7,551

4-Methoxy-4'-nitrostilbene 98.0+%, TCI America™

CAS: 1472-68-0 Molecular Formula: C15H13NO3 Molecular Weight (g/mol): 255.273 MDL Number: MFCD00143335 InChI Key: PDFBJCRLHMEJQP-NSCUHMNNSA-N PubChem CID: 745105 ChEBI: CHEBI:34006 IUPAC Name: 1-[(E)-2-(4-methoxyphenyl)ethenyl]-4-nitrobenzene SMILES: COC1=CC=C(C=C1)C=CC2=CC=C(C=C2)[N+](=O)[O-]

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Specifications

PubChem CID	745105
CAS	1472-68-0
Molecular Weight (g/mol)	255.273
ChEBI	CHEBI:34006
MDL Number	MFCD00143335
SMILES	COC1=CC=C(C=C1)C=CC2=CC=C(C=C2)[N+](=O)[O-]
IUPAC Name	1-[(E)-2-(4-methoxyphenyl)ethenyl]-4-nitrobenzene
InChI Key	PDFBJCRLHMEJQP-NSCUHMNNSA-N
Molecular Formula	C15H13NO3

7,552

2-(Chloromethyl)benzoyl Chloride 98.0+%, TCI America™

CAS: 42908-86-1 Molecular Formula: C8H6Cl2O Molecular Weight (g/mol): 189.04 MDL Number: MFCD00152348 InChI Key: TXZFBHYDQGYOIT-UHFFFAOYSA-N PubChem CID: 3016395 IUPAC Name: 2-(chloromethyl)benzoyl chloride SMILES: ClCC1=CC=CC=C1C(Cl)=O

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Specifications

PubChem CID	3016395
CAS	42908-86-1
Molecular Weight (g/mol)	189.04
MDL Number	MFCD00152348
SMILES	ClCC1=CC=CC=C1C(Cl)=O
IUPAC Name	2-(chloromethyl)benzoyl chloride
InChI Key	TXZFBHYDQGYOIT-UHFFFAOYSA-N
Molecular Formula	C8H6Cl2O

7,553

N-[4-Cyano-3-(trifluoromethyl)phenyl]methacrylamide 98.0+%, TCI America™

CAS: 90357-53-2 Molecular Formula: C12H9F3N2O Molecular Weight (g/mol): 254.212 MDL Number: MFCD03411609 InChI Key: HHWDZLSGDDXUSM-UHFFFAOYSA-N PubChem CID: 11149469 IUPAC Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylprop-2-enamide SMILES: CC(=C)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F

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Specifications

PubChem CID	11149469
CAS	90357-53-2
Molecular Weight (g/mol)	254.212
MDL Number	MFCD03411609
SMILES	CC(=C)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F
IUPAC Name	N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylprop-2-enamide
InChI Key	HHWDZLSGDDXUSM-UHFFFAOYSA-N
Molecular Formula	C12H9F3N2O

7,554

4-Bromomethylbiphenyl 98.0+%, TCI America™

CAS: 2567-29-5 Molecular Formula: C13H11Br Molecular Weight (g/mol): 247.135 MDL Number: MFCD00017869 InChI Key: HZQLUIZFUXNFHK-UHFFFAOYSA-N Synonym: 4-bromomethylbiphenyl,4-bromomethyl biphenyl,4-bromomethyl-1,1'-biphenyl,4-phenylbenzyl bromide,1-bromomethyl-4-phenylbenzene,bromoethylbiphenyl,4-biphenylmethylbromide,4-bromomethyl-biphenyl PubChem CID: 257716 IUPAC Name: 1-(bromomethyl)-4-phenylbenzene SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)CBr

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Specifications

PubChem CID	257716
CAS	2567-29-5
Molecular Weight (g/mol)	247.135
MDL Number	MFCD00017869
SMILES	C1=CC=C(C=C1)C2=CC=C(C=C2)CBr
Synonym	4-bromomethylbiphenyl,4-bromomethyl biphenyl,4-bromomethyl-1,1'-biphenyl,4-phenylbenzyl bromide,1-bromomethyl-4-phenylbenzene,bromoethylbiphenyl,4-biphenylmethylbromide,4-bromomethyl-biphenyl
IUPAC Name	1-(bromomethyl)-4-phenylbenzene
InChI Key	HZQLUIZFUXNFHK-UHFFFAOYSA-N
Molecular Formula	C13H11Br

7,555

2-Bromo-4-methoxyphenylacetic Acid 98.0+%, TCI America™

CAS: 66916-99-2 Molecular Formula: C9H9BrO3 Molecular Weight (g/mol): 245.07 MDL Number: MFCD02664700 InChI Key: XQELSBAAFMYSMG-UHFFFAOYSA-N PubChem CID: 3963668 IUPAC Name: 2-(2-bromo-4-methoxyphenyl)acetic acid SMILES: COC1=CC(Br)=C(CC(O)=O)C=C1

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Specifications

PubChem CID	3963668
CAS	66916-99-2
Molecular Weight (g/mol)	245.07
MDL Number	MFCD02664700
SMILES	COC1=CC(Br)=C(CC(O)=O)C=C1
IUPAC Name	2-(2-bromo-4-methoxyphenyl)acetic acid
InChI Key	XQELSBAAFMYSMG-UHFFFAOYSA-N
Molecular Formula	C9H9BrO3

7,556

2'-Bromo-4-chlorobiphenyl 98.0+%, TCI America™

CAS: 179526-95-5 Molecular Formula: C12H8BrCl Molecular Weight (g/mol): 267.55 MDL Number: MFCD18072809 InChI Key: WSHZWUXRWQVZQP-UHFFFAOYSA-N PubChem CID: 12939405 IUPAC Name: 2-bromo-4'-chloro-1,1'-biphenyl SMILES: ClC1=CC=C(C=C1)C1=CC=CC=C1Br

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Specifications

PubChem CID	12939405
CAS	179526-95-5
Molecular Weight (g/mol)	267.55
MDL Number	MFCD18072809
SMILES	ClC1=CC=C(C=C1)C1=CC=CC=C1Br
IUPAC Name	2-bromo-4'-chloro-1,1'-biphenyl
InChI Key	WSHZWUXRWQVZQP-UHFFFAOYSA-N
Molecular Formula	C12H8BrCl

7,557

3-Chloro-5-(trifluoromethyl)benzonitrile 98.0+%, TCI America™

CAS: 693245-52-2 Molecular Formula: C8H3ClF3N Molecular Weight (g/mol): 205.56 MDL Number: MFCD04115854 InChI Key: RLHYYDKFOQSWIB-UHFFFAOYSA-N Synonym: 3-chloro-5-trifluoromethyl benzonitrile,5-chloro-3-cyanobenzotrifluoride,3-chloro-5-trifluoromethyl-benzonitrile,3-chloro-5-cyanobenzotrifluoride,benzonitrile, 3-chloro-5-trifluoromethyl,5-chloro-3-cyano benzotrifluoride,pubchem16810,5-chloro-3-trifluoromethyl benzenecarbonitrile PubChem CID: 4584933 IUPAC Name: 3-chloro-5-(trifluoromethyl)benzonitrile SMILES: FC(F)(F)C1=CC(Cl)=CC(=C1)C#N

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Specifications

PubChem CID	4584933
CAS	693245-52-2
Molecular Weight (g/mol)	205.56
MDL Number	MFCD04115854
SMILES	FC(F)(F)C1=CC(Cl)=CC(=C1)C#N
Synonym	3-chloro-5-trifluoromethyl benzonitrile,5-chloro-3-cyanobenzotrifluoride,3-chloro-5-trifluoromethyl-benzonitrile,3-chloro-5-cyanobenzotrifluoride,benzonitrile, 3-chloro-5-trifluoromethyl,5-chloro-3-cyano benzotrifluoride,pubchem16810,5-chloro-3-trifluoromethyl benzenecarbonitrile
IUPAC Name	3-chloro-5-(trifluoromethyl)benzonitrile
InChI Key	RLHYYDKFOQSWIB-UHFFFAOYSA-N
Molecular Formula	C8H3ClF3N

7,558

2-Fluorobenzonitrile 98.0+%, TCI America™

CAS: 394-47-8 Molecular Formula: C7H4FN Molecular Weight (g/mol): 121.11 MDL Number: MFCD00001773 InChI Key: GDHXJNRAJRCGMX-UHFFFAOYSA-N Synonym: o-fluorobenzonitrile,benzonitrile, 2-fluoro,o-cyanofluorobenzene,2-fluorobenzonitril,2-cyanofluorobenzene,benzonitrile, o-fluoro,fluorobenzonitrile,2-fluorobenzenecarbonitrile,2-fluoro-benzonitrile,1-cyano-2-fluorobenzene PubChem CID: 67855 IUPAC Name: 2-fluorobenzonitrile SMILES: FC1=CC=CC=C1C#N

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Specifications

PubChem CID	67855
CAS	394-47-8
Molecular Weight (g/mol)	121.11
MDL Number	MFCD00001773
SMILES	FC1=CC=CC=C1C#N
Synonym	o-fluorobenzonitrile,benzonitrile, 2-fluoro,o-cyanofluorobenzene,2-fluorobenzonitril,2-cyanofluorobenzene,benzonitrile, o-fluoro,fluorobenzonitrile,2-fluorobenzenecarbonitrile,2-fluoro-benzonitrile,1-cyano-2-fluorobenzene
IUPAC Name	2-fluorobenzonitrile
InChI Key	GDHXJNRAJRCGMX-UHFFFAOYSA-N
Molecular Formula	C7H4FN

7,559

3-Fluorobenzoyl Chloride 97.0+%, TCI America™

CAS: 1711-07-5 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.556 MDL Number: MFCD00000670 InChI Key: SYVNVEGIRVXRQH-UHFFFAOYSA-N Synonym: m-fluorobenzoyl chloride,benzoyl chloride, 3-fluoro,benzoyl chloride, m-fluoro,m-fluorobenzoic acid chloride,3-fluorobenzoic acid chloride,3-fluorobenzoylchloride,gvr cf,m-fluorobenzoylchloride,pubchem19742,m-fluoro-benzoylchloride PubChem CID: 74376 IUPAC Name: 3-fluorobenzoyl chloride SMILES: C1=CC(=CC(=C1)F)C(=O)Cl

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Specifications

PubChem CID	74376
CAS	1711-07-5
Molecular Weight (g/mol)	158.556
MDL Number	MFCD00000670
SMILES	C1=CC(=CC(=C1)F)C(=O)Cl
Synonym	m-fluorobenzoyl chloride,benzoyl chloride, 3-fluoro,benzoyl chloride, m-fluoro,m-fluorobenzoic acid chloride,3-fluorobenzoic acid chloride,3-fluorobenzoylchloride,gvr cf,m-fluorobenzoylchloride,pubchem19742,m-fluoro-benzoylchloride
IUPAC Name	3-fluorobenzoyl chloride
InChI Key	SYVNVEGIRVXRQH-UHFFFAOYSA-N
Molecular Formula	C7H4ClFO

7,560

2,2-Diphenylpropionic Acid 96.0+%, TCI America™

CAS: 5558-66-7 Molecular Formula: C15H14O2 Molecular Weight (g/mol): 226.275 MDL Number: MFCD00004189 InChI Key: ODELFXJUOVNEFZ-UHFFFAOYSA-N Synonym: 2,2-diphenylpropionic acid,2,2-diphenylpropionicacid,a,a-diphenylpropionic acid,alpha,alpha-diphenylpropionic acid,acmc-209lnv,cambridge id 7170182,2,2-diphenyl propanoic acid,2,2-diphenyl propionic acid,2,2-di phenyl propanoic acid,# PubChem CID: 79676 IUPAC Name: 2,2-diphenylpropanoic acid SMILES: CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)O

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Specifications

PubChem CID	79676
CAS	5558-66-7
Molecular Weight (g/mol)	226.275
MDL Number	MFCD00004189
SMILES	CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)O
Synonym	2,2-diphenylpropionic acid,2,2-diphenylpropionicacid,a,a-diphenylpropionic acid,alpha,alpha-diphenylpropionic acid,acmc-209lnv,cambridge id 7170182,2,2-diphenyl propanoic acid,2,2-diphenyl propionic acid,2,2-di phenyl propanoic acid,#
IUPAC Name	2,2-diphenylpropanoic acid
InChI Key	ODELFXJUOVNEFZ-UHFFFAOYSA-N
Molecular Formula	C15H14O2

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Benzene and substituted derivatives

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