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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7,411 – 7,425 of 77,726 results

7,411

1,2-Difluoro-4-iodobenzene (stabilized with Copper chip) 98.0+%, TCI America™

CAS: 64248-58-4 Molecular Formula: C6H3F2I Molecular Weight (g/mol): 239.99 MDL Number: MFCD00044630 InChI Key: KSASJELKLBIMSG-UHFFFAOYSA-N Synonym: 3,4-difluoroiodobenzene,1,2-difluoro-4-iodo-benzene,benzene, 1,2-difluoro-4-iodo,3,4-difluoro iodobenzene,pubchem3461,3,4-difluoro-iodobenzene,3,4-difluorophenyl iodide,3,4-difluoro-1-iodobenzene,1-iodo-3,4-difluoro-benzene PubChem CID: 2724444 IUPAC Name: 1,2-difluoro-4-iodobenzene SMILES: FC1=C(F)C=C(I)C=C1

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Specifications

PubChem CID	2724444
CAS	64248-58-4
Molecular Weight (g/mol)	239.99
MDL Number	MFCD00044630
SMILES	FC1=C(F)C=C(I)C=C1
Synonym	3,4-difluoroiodobenzene,1,2-difluoro-4-iodo-benzene,benzene, 1,2-difluoro-4-iodo,3,4-difluoro iodobenzene,pubchem3461,3,4-difluoro-iodobenzene,3,4-difluorophenyl iodide,3,4-difluoro-1-iodobenzene,1-iodo-3,4-difluoro-benzene
IUPAC Name	1,2-difluoro-4-iodobenzene
InChI Key	KSASJELKLBIMSG-UHFFFAOYSA-N
Molecular Formula	C6H3F2I

7,412

2-Chlorobenzenesulfonamide 98.0+%, TCI America™

CAS: 6961-82-6 Molecular Formula: C6H6ClNO2S Molecular Weight (g/mol): 191.629 InChI Key: JCCBZCMSYUSCFM-UHFFFAOYSA-N Synonym: o-chlorobenzenesulfonamide,2-chlorobenzene-1-sulfonamide,benzenesulfonamide, 2-chloro,unii-4bt2i28a0c,benzenesulfonamide, o-chloro,2-chlorobenzenesulphonamide,2-chloro-benzenesulfonamide,chlorobenzenesulfonamide,o-chlorobenzenesulphonamide,benzenesulfonamide, chloro PubChem CID: 81410 IUPAC Name: 2-chlorobenzenesulfonamide SMILES: C1=CC=C(C(=C1)S(=O)(=O)N)Cl

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Specifications

PubChem CID	81410
CAS	6961-82-6
Molecular Weight (g/mol)	191.629
SMILES	C1=CC=C(C(=C1)S(=O)(=O)N)Cl
Synonym	o-chlorobenzenesulfonamide,2-chlorobenzene-1-sulfonamide,benzenesulfonamide, 2-chloro,unii-4bt2i28a0c,benzenesulfonamide, o-chloro,2-chlorobenzenesulphonamide,2-chloro-benzenesulfonamide,chlorobenzenesulfonamide,o-chlorobenzenesulphonamide,benzenesulfonamide, chloro
IUPAC Name	2-chlorobenzenesulfonamide
InChI Key	JCCBZCMSYUSCFM-UHFFFAOYSA-N
Molecular Formula	C6H6ClNO2S

7,413

2-Octadecyl-1,4-dimethoxybenzene, TCI America™

CAS: 88702-69-6 Molecular Formula: C26H46O2 Molecular Weight (g/mol): 390.652 MDL Number: MFCD00142955 InChI Key: ZBJNNOTWURHXIS-UHFFFAOYSA-N Synonym: Octadecylhydroxyquinone Dimethyl Ether PubChem CID: 13173901 IUPAC Name: 1,4-dimethoxy-2-octadecylbenzene SMILES: CCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1)OC)OC

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Specifications

PubChem CID	13173901
CAS	88702-69-6
Molecular Weight (g/mol)	390.652
MDL Number	MFCD00142955
SMILES	CCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1)OC)OC
Synonym	Octadecylhydroxyquinone Dimethyl Ether
IUPAC Name	1,4-dimethoxy-2-octadecylbenzene
InChI Key	ZBJNNOTWURHXIS-UHFFFAOYSA-N
Molecular Formula	C26H46O2

7,414

Methyl Phenyl Sulfone 97.0+%, TCI America™

CAS: 3112-85-4 Molecular Formula: C7H8O2S Molecular Weight (g/mol): 156.199 MDL Number: MFCD00014741 InChI Key: JCDWETOKTFWTHA-UHFFFAOYSA-N Synonym: methyl phenyl sulfone,methylsulfonyl benzene,phenyl methyl sulfone,benzene, methylsulfonyl,sulfone, methyl phenyl,phenylsulfonyl methane,methylphenylsulfone,methylsulphonyl benzene,methanesulfonylbenzene,methyl phenyl sulphone PubChem CID: 18369 IUPAC Name: methylsulfonylbenzene SMILES: CS(=O)(=O)C1=CC=CC=C1

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Specifications

PubChem CID	18369
CAS	3112-85-4
Molecular Weight (g/mol)	156.199
MDL Number	MFCD00014741
SMILES	CS(=O)(=O)C1=CC=CC=C1
Synonym	methyl phenyl sulfone,methylsulfonyl benzene,phenyl methyl sulfone,benzene, methylsulfonyl,sulfone, methyl phenyl,phenylsulfonyl methane,methylphenylsulfone,methylsulphonyl benzene,methanesulfonylbenzene,methyl phenyl sulphone
IUPAC Name	methylsulfonylbenzene
InChI Key	JCDWETOKTFWTHA-UHFFFAOYSA-N
Molecular Formula	C7H8O2S

7,415

p-Xylylene Dithiocyanate 98.0+%, TCI America™

CAS: 1014-99-9 Molecular Formula: C10H8N2S2 Molecular Weight (g/mol): 220.308 InChI Key: ZMFLUYPLYCZQDR-UHFFFAOYSA-N PubChem CID: 4460705 IUPAC Name: [4-(thiocyanatomethyl)phenyl]methyl thiocyanate SMILES: C1=CC(=CC=C1CSC#N)CSC#N

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Specifications

PubChem CID	4460705
CAS	1014-99-9
Molecular Weight (g/mol)	220.308
SMILES	C1=CC(=CC=C1CSC#N)CSC#N
IUPAC Name	[4-(thiocyanatomethyl)phenyl]methyl thiocyanate
InChI Key	ZMFLUYPLYCZQDR-UHFFFAOYSA-N
Molecular Formula	C10H8N2S2

7,416

Bis(4-tert-butylphenyl)amine 90.0+%, TCI America™

CAS: 4627-22-9 Molecular Formula: C20H27N Molecular Weight (g/mol): 281.443 InChI Key: OPEKHRGERHDLRK-UHFFFAOYSA-N PubChem CID: 458684 IUPAC Name: 4-tert-butyl-N-(4-tert-butylphenyl)aniline SMILES: CC(C)(C)C1=CC=C(C=C1)NC2=CC=C(C=C2)C(C)(C)C

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Specifications

PubChem CID	458684
CAS	4627-22-9
Molecular Weight (g/mol)	281.443
SMILES	CC(C)(C)C1=CC=C(C=C1)NC2=CC=C(C=C2)C(C)(C)C
IUPAC Name	4-tert-butyl-N-(4-tert-butylphenyl)aniline
InChI Key	OPEKHRGERHDLRK-UHFFFAOYSA-N
Molecular Formula	C20H27N

7,417

Bis(3-bromophenyl)acetylene 97.0+%, TCI America™

CAS: 153404-60-5 Molecular Formula: C14H8Br2 Molecular Weight (g/mol): 336.03 MDL Number: MFCD11111154 InChI Key: WSXUXTVJTIPBAF-UHFFFAOYSA-N PubChem CID: 12022272 IUPAC Name: 1-bromo-3-[2-(3-bromophenyl)ethynyl]benzene SMILES: BrC1=CC=CC(=C1)C#CC1=CC(Br)=CC=C1

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Specifications

PubChem CID	12022272
CAS	153404-60-5
Molecular Weight (g/mol)	336.03
MDL Number	MFCD11111154
SMILES	BrC1=CC=CC(=C1)C#CC1=CC(Br)=CC=C1
IUPAC Name	1-bromo-3-[2-(3-bromophenyl)ethynyl]benzene
InChI Key	WSXUXTVJTIPBAF-UHFFFAOYSA-N
Molecular Formula	C14H8Br2

7,418

2-Iodo-5-nitrotoluene 96.0+%, TCI America™

CAS: 5326-38-5 Molecular Formula: C7H6INO2 Molecular Weight (g/mol): 263.03 MDL Number: MFCD00051517 InChI Key: ARJHCXYRCLMLQN-UHFFFAOYSA-N Synonym: 2-iodo-5-nitrotoluene,benzene, 1-iodo-2-methyl-4-nitro,1-iodo-2-methyl-4-nitro-benzene,acmc-1amrp,2-jod-5-nitro-1-methylbenzol,benzene,1-iodo-2-methyl-4-nitro PubChem CID: 79225 IUPAC Name: 1-iodo-2-methyl-4-nitrobenzene SMILES: CC1=CC(=CC=C1I)[N+]([O-])=O

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Specifications

PubChem CID	79225
CAS	5326-38-5
Molecular Weight (g/mol)	263.03
MDL Number	MFCD00051517
SMILES	CC1=CC(=CC=C1I)[N+]([O-])=O
Synonym	2-iodo-5-nitrotoluene,benzene, 1-iodo-2-methyl-4-nitro,1-iodo-2-methyl-4-nitro-benzene,acmc-1amrp,2-jod-5-nitro-1-methylbenzol,benzene,1-iodo-2-methyl-4-nitro
IUPAC Name	1-iodo-2-methyl-4-nitrobenzene
InChI Key	ARJHCXYRCLMLQN-UHFFFAOYSA-N
Molecular Formula	C7H6INO2

7,419

4'-(trans-4-Amylcyclohexyl)biphenyl-4-carbonitrile 98.0+%, TCI America™

CAS: 68065-81-6 Molecular Formula: C24H29N Molecular Weight (g/mol): 331.503 MDL Number: MFCD01076317 InChI Key: QKEBUASRTJNJJS-UHFFFAOYSA-N Synonym: 4'-trans-4-pentylcyclohexyl-1,1'-biphenyl-4-carbonitrile,trans-4'-4-pentylcyclohexyl-4-biphenylcarbonitrile,trans-4-4-pentylcyclohexyl-4'-cyanobiphenyl,4-trans-4-n-pentylcyclohexyl biphenyl-4'-carbonitrile,4-4-4-pentylcyclohexyl phenyl benzonitrile,1,1'-biphenyl-4-carbonitrile, 4'-trans-4-pentylcyclohexyl,4-cyano-4'-trans-4-pentylcyclohexyl biphenyl,4'-trans-4-amylcyclohexyl biphenyl-4-carbonitrile,trans-4'-4-pentylcyclohexyl 1,1'-biphenyl-4-carbonitrile PubChem CID: 106491 IUPAC Name: 4-[4-(4-pentylcyclohexyl)phenyl]benzonitrile SMILES: CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

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Specifications

PubChem CID	106491
CAS	68065-81-6
Molecular Weight (g/mol)	331.503
MDL Number	MFCD01076317
SMILES	CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N
Synonym	4'-trans-4-pentylcyclohexyl-1,1'-biphenyl-4-carbonitrile,trans-4'-4-pentylcyclohexyl-4-biphenylcarbonitrile,trans-4-4-pentylcyclohexyl-4'-cyanobiphenyl,4-trans-4-n-pentylcyclohexyl biphenyl-4'-carbonitrile,4-4-4-pentylcyclohexyl phenyl benzonitrile,1,1'-biphenyl-4-carbonitrile, 4'-trans-4-pentylcyclohexyl,4-cyano-4'-trans-4-pentylcyclohexyl biphenyl,4'-trans-4-amylcyclohexyl biphenyl-4-carbonitrile,trans-4'-4-pentylcyclohexyl 1,1'-biphenyl-4-carbonitrile
IUPAC Name	4-[4-(4-pentylcyclohexyl)phenyl]benzonitrile
InChI Key	QKEBUASRTJNJJS-UHFFFAOYSA-N
Molecular Formula	C24H29N

7,420

Benzhydryl Chloride 95.0+%, TCI America™

CAS: 90-99-3 Molecular Formula: C13H11Cl Molecular Weight (g/mol): 202.681 MDL Number: MFCD00000855 InChI Key: ZDVDCDLBOLSVGM-UHFFFAOYSA-N Synonym: benzhydryl chloride,chlorodiphenylmethane,chloromethylene dibenzene,diphenylchloromethane,diphenylmethyl chloride,benzene, 1,1'-chloromethylene bis,chloro phenyl methyl benzene,methane, chlorodiphenyl,unii-cn9n9ayv4b,1,1'-chloromethylene bisbenzene PubChem CID: 7035 IUPAC Name: [chloro(phenyl)methyl]benzene SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)Cl

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Specifications

PubChem CID	7035
CAS	90-99-3
Molecular Weight (g/mol)	202.681
MDL Number	MFCD00000855
SMILES	C1=CC=C(C=C1)C(C2=CC=CC=C2)Cl
Synonym	benzhydryl chloride,chlorodiphenylmethane,chloromethylene dibenzene,diphenylchloromethane,diphenylmethyl chloride,benzene, 1,1'-chloromethylene bis,chloro phenyl methyl benzene,methane, chlorodiphenyl,unii-cn9n9ayv4b,1,1'-chloromethylene bisbenzene
IUPAC Name	[chloro(phenyl)methyl]benzene
InChI Key	ZDVDCDLBOLSVGM-UHFFFAOYSA-N
Molecular Formula	C13H11Cl

7,421

Methyl 4-Nitrobenzoate 98.0+%, TCI America™

CAS: 619-50-1 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007350 InChI Key: YOJAHJGBFDPSDI-UHFFFAOYSA-N Synonym: methyl p-nitrobenzoate,benzoic acid, 4-nitro-, methyl ester,p-nitrobenzoic acid methyl ester,methyl-p-nitrobenzoate,methyl-4-nitrobenzoate,benzoic acid, p-nitro-, methyl ester,p-carbomethoxynitrobenzene,unii-nmn8cth864,nmn8cth864,4-nitrobenzoic acid methyl ester PubChem CID: 12083 IUPAC Name: methyl 4-nitrobenzoate SMILES: COC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

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Specifications

PubChem CID	12083
CAS	619-50-1
Molecular Weight (g/mol)	181.147
MDL Number	MFCD00007350
SMILES	COC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
Synonym	methyl p-nitrobenzoate,benzoic acid, 4-nitro-, methyl ester,p-nitrobenzoic acid methyl ester,methyl-p-nitrobenzoate,methyl-4-nitrobenzoate,benzoic acid, p-nitro-, methyl ester,p-carbomethoxynitrobenzene,unii-nmn8cth864,nmn8cth864,4-nitrobenzoic acid methyl ester
IUPAC Name	methyl 4-nitrobenzoate
InChI Key	YOJAHJGBFDPSDI-UHFFFAOYSA-N
Molecular Formula	C8H7NO4

7,422

Homosulfamine Hydrochloride 98.0+%, TCI America™

CAS: 138-37-4 Molecular Formula: C7H11ClN2O2S Molecular Weight (g/mol): 222.687 MDL Number: MFCD00013005 InChI Key: SIACJRVYIPXFKS-UHFFFAOYSA-N Synonym: alpha-Amino-p-toluenesulfonamide Hydrochloride, Mafenide Hydrochloride PubChem CID: 67313 IUPAC Name: 4-(aminomethyl)benzenesulfonamide;hydrochloride SMILES: C1=CC(=CC=C1CN)S(=O)(=O)N.Cl

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Specifications

PubChem CID	67313
CAS	138-37-4
Molecular Weight (g/mol)	222.687
MDL Number	MFCD00013005
SMILES	C1=CC(=CC=C1CN)S(=O)(=O)N.Cl
Synonym	alpha-Amino-p-toluenesulfonamide Hydrochloride, Mafenide Hydrochloride
IUPAC Name	4-(aminomethyl)benzenesulfonamide;hydrochloride
InChI Key	SIACJRVYIPXFKS-UHFFFAOYSA-N
Molecular Formula	C7H11ClN2O2S

7,423

(S)-(-)-2-Amino-3-methyl-1,1-diphenyl-1-butanol 98.0+%, TCI America™

CAS: 78603-95-9 Molecular Formula: C17H21NO Molecular Weight (g/mol): 255.36 MDL Number: MFCD01318248 InChI Key: LNQVZZGGOZBOQS-UHFFFAOYNA-N PubChem CID: 854145 IUPAC Name: 2-amino-3-methyl-1,1-diphenylbutan-1-ol SMILES: CC(C)C(N)C(O)(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	854145
CAS	78603-95-9
Molecular Weight (g/mol)	255.36
MDL Number	MFCD01318248
SMILES	CC(C)C(N)C(O)(C1=CC=CC=C1)C1=CC=CC=C1
IUPAC Name	2-amino-3-methyl-1,1-diphenylbutan-1-ol
InChI Key	LNQVZZGGOZBOQS-UHFFFAOYNA-N
Molecular Formula	C17H21NO

7,424

alpha,alpha'-Bis(4-aminophenyl)-1,4-diisopropylbenzene 99.0+%, TCI America™

CAS: 2716-10-1 Molecular Formula: C24H28N2 Molecular Weight (g/mol): 344.50 MDL Number: MFCD00191313 InChI Key: HESXPOICBNWMPI-UHFFFAOYSA-N PubChem CID: 75930 IUPAC Name: 4-[2-[4-[2-(4-aminophenyl)propan-2-yl]phenyl]propan-2-yl]aniline SMILES: CC(C)(C1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)N)C3=CC=C(C=C3)N

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Specifications

PubChem CID	75930
CAS	2716-10-1
Molecular Weight (g/mol)	344.50
MDL Number	MFCD00191313
SMILES	CC(C)(C1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)N)C3=CC=C(C=C3)N
IUPAC Name	4-[2-[4-[2-(4-aminophenyl)propan-2-yl]phenyl]propan-2-yl]aniline
InChI Key	HESXPOICBNWMPI-UHFFFAOYSA-N
Molecular Formula	C24H28N2

7,425

4-Acetamidobenzoic Acid 98.0+%, TCI America™

CAS: 556-08-1 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.175 MDL Number: MFCD00002534 InChI Key: QCXJEYYXVJIFCE-UHFFFAOYSA-N Synonym: acedoben,p-acetamidobenzoic acid,4-acetylamino benzoic acid,4-carboxyacetanilide,4-acetylaminobenzoic acid,benzoic acid, 4-acetylamino,p-acetylamino benzoic acid,p-acetoaminobenzoic acid,p-acetaminobenzoic acid,n-acetyl-p-aminobenzoic acid PubChem CID: 19266 ChEBI: CHEBI:46171 IUPAC Name: 4-acetamidobenzoic acid SMILES: CC(=O)NC1=CC=C(C=C1)C(=O)O

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Specifications

PubChem CID	19266
CAS	556-08-1
Molecular Weight (g/mol)	179.175
ChEBI	CHEBI:46171
MDL Number	MFCD00002534
SMILES	CC(=O)NC1=CC=C(C=C1)C(=O)O
Synonym	acedoben,p-acetamidobenzoic acid,4-acetylamino benzoic acid,4-carboxyacetanilide,4-acetylaminobenzoic acid,benzoic acid, 4-acetylamino,p-acetylamino benzoic acid,p-acetoaminobenzoic acid,p-acetaminobenzoic acid,n-acetyl-p-aminobenzoic acid
IUPAC Name	4-acetamidobenzoic acid
InChI Key	QCXJEYYXVJIFCE-UHFFFAOYSA-N
Molecular Formula	C9H9NO3

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