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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.
Acetophenones (2)
Aminobenzoic acids and derivatives (4)
Aminotoluenes (23)
Anilides (4)
Aniline and substituted anilines (24)
Benzenesulfonamides (4)
Benzenesulfonyl compounds (8)
Benzoic acid esters (8)
Benzophenones (25)
Benzoyl derivatives (70)
Biphenyls and derivatives (6)
Bromobenzenes (63)
Cumenes (6)
Diphenylethers (7)
Diphenylmethanes (21)
Fluorobenzenes (42)
Iodobenzenes (33)
Methoxybenzenes (21)
Methoxybenzoic acids and derivatives (5)
Nitrobenzenes (29)
Nitrobenzoic acids and derivatives (10)
Nitrotoluenes (19)
Phenoxy compounds (26)
Phenylcarbamic acid esters (3)
Phenylhydrazines (2)
Phenylmethylamines (18)
Phenylphosphines and derivatives (11)
Phenylpropanes (17)
Phenylpropylamines (1)
Phthalic acid and derivatives (7)
Styrenes (25)
Sulfanilides (2)
Sulfanylbenzoic acids and derivatives (2)
Terphenyls (2)
Toluene diisocyanates (2)
Trifluoromethylbenzenes (62)
Hydroxybenzoic Acid Derivatives (38)
Benzyl Derivatives (61)

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Benzhydrol, 99%

CAS: 91-01-0 Molecular Formula: C13H12O Molecular Weight (g/mol): 184.24 MDL Number: MFCD00004488 InChI Key: QILSFLSDHQAZET-UHFFFAOYSA-N Synonym: benzhydrol,diphenylcarbinol,benzohydrol,benzhydryl alcohol,hydroxydiphenylmethane,diphenylmethyl alcohol,diphenyl carbinol,alpha-phenylbenzenemethanol,diphenyl-methanol,benzenemethanol, .alpha.-phenyl PubChem CID: 7037 IUPAC Name: diphenylmethanol SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)O

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PubChem CID 7037
CAS 91-01-0
Molecular Weight (g/mol) 184.24
MDL Number MFCD00004488
SMILES C1=CC=C(C=C1)C(C2=CC=CC=C2)O
Synonym benzhydrol,diphenylcarbinol,benzohydrol,benzhydryl alcohol,hydroxydiphenylmethane,diphenylmethyl alcohol,diphenyl carbinol,alpha-phenylbenzenemethanol,diphenyl-methanol,benzenemethanol, .alpha.-phenyl
IUPAC Name diphenylmethanol
InChI Key QILSFLSDHQAZET-UHFFFAOYSA-N
Molecular Formula C13H12O
2
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Benzophenone, 99+%, pure

CAS: 119-61-9 Molecular Formula: C13H10O Molecular Weight (g/mol): 182.22 InChI Key: RWCCWEUUXYIKHB-UHFFFAOYSA-N Synonym: benzophenone,diphenyl ketone,benzoylbenzene,phenyl ketone,methanone, diphenyl,alpha-oxoditane,ketone, diphenyl,benzene, benzoyl,alpha-oxodiphenylmethane,diphenylketone PubChem CID: 3102 ChEBI: CHEBI:41308 IUPAC Name: diphenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2

EDGE
PubChem CID 3102
CAS 119-61-9
Molecular Weight (g/mol) 182.22
ChEBI CHEBI:41308
SMILES C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
Synonym benzophenone,diphenyl ketone,benzoylbenzene,phenyl ketone,methanone, diphenyl,alpha-oxoditane,ketone, diphenyl,benzene, benzoyl,alpha-oxodiphenylmethane,diphenylketone
IUPAC Name diphenylmethanone
InChI Key RWCCWEUUXYIKHB-UHFFFAOYSA-N
Molecular Formula C13H10O
3
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p-Toluenesulfonyl isocyanate, 96%, AcroSeal™

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4
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4-(Trifluoromethyl)benzaldehyde, 98%

CAS: 455-19-6 Molecular Formula: C8H5F3O Molecular Weight (g/mol): 174.12 MDL Number: MFCD00006952 InChI Key: BEOBZEOPTQQELP-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzaldehyde,benzaldehyde, 4-trifluoromethyl,p-trifluoromethylbenzaldehyde,p-trifluoromethyl benzaldehyde,alpha,alpha,alpha-trifluoro-p-tolualdehyde,4'-trifluoromethyl benzaldehyde,p-trifluoromethyl-benzaldhyde,4-trifluoromethyl-benzaldehyde PubChem CID: 67996 IUPAC Name: 4-(trifluoromethyl)benzaldehyde SMILES: C1=CC(=CC=C1C=O)C(F)(F)F

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PubChem CID 67996
CAS 455-19-6
Molecular Weight (g/mol) 174.12
MDL Number MFCD00006952
SMILES C1=CC(=CC=C1C=O)C(F)(F)F
Synonym 4-trifluoromethyl benzaldehyde,benzaldehyde, 4-trifluoromethyl,p-trifluoromethylbenzaldehyde,p-trifluoromethyl benzaldehyde,alpha,alpha,alpha-trifluoro-p-tolualdehyde,4'-trifluoromethyl benzaldehyde,p-trifluoromethyl-benzaldhyde,4-trifluoromethyl-benzaldehyde
IUPAC Name 4-(trifluoromethyl)benzaldehyde
InChI Key BEOBZEOPTQQELP-UHFFFAOYSA-N
Molecular Formula C8H5F3O
5
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Phenyl ether, 99%

CAS: 101-84-8 Molecular Formula: C12H10O Molecular Weight (g/mol): 170.21 MDL Number: MFCD00003034 InChI Key: USIUVYZYUHIAEV-UHFFFAOYSA-N Synonym: diphenyl ether,diphenyl oxide,phenyl ether,oxydibenzene,phenyl oxide,oxybisbenzene,biphenyl oxide,1,1'-oxydibenzene,benzene, 1,1'-oxybis,oxydiphenyl PubChem CID: 7583 ChEBI: CHEBI:39258 IUPAC Name: phenoxybenzene SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2

PubChem CID 7583
CAS 101-84-8
Molecular Weight (g/mol) 170.21
ChEBI CHEBI:39258
MDL Number MFCD00003034
SMILES C1=CC=C(C=C1)OC2=CC=CC=C2
Synonym diphenyl ether,diphenyl oxide,phenyl ether,oxydibenzene,phenyl oxide,oxybisbenzene,biphenyl oxide,1,1'-oxydibenzene,benzene, 1,1'-oxybis,oxydiphenyl
IUPAC Name phenoxybenzene
InChI Key USIUVYZYUHIAEV-UHFFFAOYSA-N
Molecular Formula C12H10O
6

Iodopentafluorobenzene, 99%, stabilised over copper

CAS: 827-15-6 Molecular Formula: C6F5I Molecular Weight (g/mol): 293.96 InChI Key: OPYHNLNYCRZOGY-UHFFFAOYSA-N Synonym: iodopentafluorobenzene,pentafluoroiodobenzene,benzene, pentafluoroiodo,2,3,4,5,6-pentafluoroiodobenzene,iodoperfluorobenzene,pentafluorophenyl iodide,1,2,3,4,5-pentafluoro-6-iodo-benzene,perfluoroiodobenzene,ibf,pubchem19982 PubChem CID: 70008 IUPAC Name: 1,2,3,4,5-pentafluoro-6-iodobenzene SMILES: C1(=C(C(=C(C(=C1F)F)I)F)F)F

PubChem CID 70008
CAS 827-15-6
Molecular Weight (g/mol) 293.96
SMILES C1(=C(C(=C(C(=C1F)F)I)F)F)F
Synonym iodopentafluorobenzene,pentafluoroiodobenzene,benzene, pentafluoroiodo,2,3,4,5,6-pentafluoroiodobenzene,iodoperfluorobenzene,pentafluorophenyl iodide,1,2,3,4,5-pentafluoro-6-iodo-benzene,perfluoroiodobenzene,ibf,pubchem19982
IUPAC Name 1,2,3,4,5-pentafluoro-6-iodobenzene
InChI Key OPYHNLNYCRZOGY-UHFFFAOYSA-N
Molecular Formula C6F5I
7
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Benzophenone, 99%, pure

CAS: 119-61-9 Molecular Formula: C13H10O Molecular Weight (g/mol): 182.22 InChI Key: RWCCWEUUXYIKHB-UHFFFAOYSA-N Synonym: benzophenone,diphenyl ketone,benzoylbenzene,phenyl ketone,methanone, diphenyl,alpha-oxoditane,ketone, diphenyl,benzene, benzoyl,alpha-oxodiphenylmethane,diphenylketone PubChem CID: 3102 ChEBI: CHEBI:41308 IUPAC Name: diphenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2

PubChem CID 3102
CAS 119-61-9
Molecular Weight (g/mol) 182.22
ChEBI CHEBI:41308
SMILES C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
Synonym benzophenone,diphenyl ketone,benzoylbenzene,phenyl ketone,methanone, diphenyl,alpha-oxoditane,ketone, diphenyl,benzene, benzoyl,alpha-oxodiphenylmethane,diphenylketone
IUPAC Name diphenylmethanone
InChI Key RWCCWEUUXYIKHB-UHFFFAOYSA-N
Molecular Formula C13H10O
8
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2-Nitrobenzaldehyde, 99+%

CAS: 552-89-6 Molecular Formula: C7H5NO3 Molecular Weight (g/mol): 151.12 InChI Key: CMWKITSNTDAEDT-UHFFFAOYSA-N Synonym: o-nitrobenzaldehyde,benzaldehyde, 2-nitro,nitrobenzaldehyde,benzaldehyde, o-nitro,2-nitro-benzaldehyde,2-formylnitrobenzene,ccris 2322,unii-48b18q9b8e,benzaldehyde, nitro,ortho-nitrobenzaldehyde PubChem CID: 11101 ChEBI: CHEBI:66927 IUPAC Name: 2-nitrobenzaldehyde SMILES: C1=CC=C(C(=C1)C=O)[N+](=O)[O-]

PubChem CID 11101
CAS 552-89-6
Molecular Weight (g/mol) 151.12
ChEBI CHEBI:66927
SMILES C1=CC=C(C(=C1)C=O)[N+](=O)[O-]
Synonym o-nitrobenzaldehyde,benzaldehyde, 2-nitro,nitrobenzaldehyde,benzaldehyde, o-nitro,2-nitro-benzaldehyde,2-formylnitrobenzene,ccris 2322,unii-48b18q9b8e,benzaldehyde, nitro,ortho-nitrobenzaldehyde
IUPAC Name 2-nitrobenzaldehyde
InChI Key CMWKITSNTDAEDT-UHFFFAOYSA-N
Molecular Formula C7H5NO3
9
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chlorodiphenylmethane, 98%

CAS: 90-99-3 Molecular Formula: C13H11Cl Molecular Weight (g/mol): 202.68 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

PubChem CID 7035
CAS 90-99-3
Molecular Weight (g/mol) 202.68
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
10

1,2,4,5-Tetrabromobenzene, 97%

CAS: 636-28-2 Molecular Formula: C6H2Br4 Molecular Weight (g/mol): 393.70 MDL Number: MFCD00000063 InChI Key: QCKHVNQHBOGZER-UHFFFAOYSA-N PubChem CID: 12486 IUPAC Name: 1,2,4,5-tetrabromobenzene SMILES: BrC1=CC(Br)=C(Br)C=C1Br

PubChem CID 12486
CAS 636-28-2
Molecular Weight (g/mol) 393.70
MDL Number MFCD00000063
SMILES BrC1=CC(Br)=C(Br)C=C1Br
IUPAC Name 1,2,4,5-tetrabromobenzene
InChI Key QCKHVNQHBOGZER-UHFFFAOYSA-N
Molecular Formula C6H2Br4
11

4-Cyanostyrene, 95%, stabilized

CAS: 3435-51-6 Molecular Formula: C9H7N Molecular Weight (g/mol): 129.16 MDL Number: MFCD00080445 InChI Key: SNTUCKQYWGHZPK-UHFFFAOYSA-N PubChem CID: 76967 IUPAC Name: 4-ethenylbenzonitrile SMILES: C=CC1=CC=C(C=C1)C#N

PubChem CID 76967
CAS 3435-51-6
Molecular Weight (g/mol) 129.16
MDL Number MFCD00080445
SMILES C=CC1=CC=C(C=C1)C#N
IUPAC Name 4-ethenylbenzonitrile
InChI Key SNTUCKQYWGHZPK-UHFFFAOYSA-N
Molecular Formula C9H7N
12

4-Iodobenzonitrile, 99%, Thermo Scientific Chemicals

CAS: 3058-39-7 Molecular Formula: C7H4IN Molecular Weight (g/mol): 229.02 MDL Number: MFCD00051310 InChI Key: XOKDXPVXJWTSRM-UHFFFAOYSA-N Synonym: p-iodobenzonitrile,benzonitrile, 4-iodo,p-cyanoiodobenzene,benzonitrile, p-iodo,1-cyano-4-iodobenzene,4-cyanoiodobenzene,4-iodo-benzonitrile,4-iodobenzenecarbonitrile,4-iodbenzonitril,4-iodo benzonitrile PubChem CID: 76467 IUPAC Name: 4-iodobenzonitrile SMILES: IC1=CC=C(C=C1)C#N

PubChem CID 76467
CAS 3058-39-7
Molecular Weight (g/mol) 229.02
MDL Number MFCD00051310
SMILES IC1=CC=C(C=C1)C#N
Synonym p-iodobenzonitrile,benzonitrile, 4-iodo,p-cyanoiodobenzene,benzonitrile, p-iodo,1-cyano-4-iodobenzene,4-cyanoiodobenzene,4-iodo-benzonitrile,4-iodobenzenecarbonitrile,4-iodbenzonitril,4-iodo benzonitrile
IUPAC Name 4-iodobenzonitrile
InChI Key XOKDXPVXJWTSRM-UHFFFAOYSA-N
Molecular Formula C7H4IN
13

4-Chloromethylbenzonitrile, 98%

CAS: 874-86-2 Molecular Formula: C8H6ClN Molecular Weight (g/mol): 151.59 MDL Number: MFCD00019761 InChI Key: LOQLDQJTSMKBJU-UHFFFAOYSA-N Synonym: 4-chloromethyl benzonitrile,4-cyanobenzyl chloride,4-chloromethyl-benzonitrile,benzonitrile, 4-chloromethyl,ccris 5103,p-cyanobenzyl chloride,4-chloromethyl benzenecarbonitrile,4-cyanobenzylchloride,pubchem7377,alp.-chloro-p-tolunitrile PubChem CID: 70127 IUPAC Name: 4-(chloromethyl)benzonitrile SMILES: C1=CC(=CC=C1CCl)C#N

PubChem CID 70127
CAS 874-86-2
Molecular Weight (g/mol) 151.59
MDL Number MFCD00019761
SMILES C1=CC(=CC=C1CCl)C#N
Synonym 4-chloromethyl benzonitrile,4-cyanobenzyl chloride,4-chloromethyl-benzonitrile,benzonitrile, 4-chloromethyl,ccris 5103,p-cyanobenzyl chloride,4-chloromethyl benzenecarbonitrile,4-cyanobenzylchloride,pubchem7377,alp.-chloro-p-tolunitrile
IUPAC Name 4-(chloromethyl)benzonitrile
InChI Key LOQLDQJTSMKBJU-UHFFFAOYSA-N
Molecular Formula C8H6ClN
14

2-Iodobenzonitrile, 99%

CAS: 4387-36-4 Molecular Weight (g/mol): 229.02 MDL Number: MFCD00079761 InChI Key: JDDAFHUEOVUDFJ-UHFFFAOYSA-N Synonym: 1-cyano-2-iodobenzene,benzonitrile, 2-iodo,o-iodobenzonitrile,2-iodobenzenecarbonitrile,iodobenzonitrile,2-cyanoiodobenzene,pubchem3932,acmc-209jvq,2-iodobenzonitrile,ksc235m8d PubChem CID: 2759358 IUPAC Name: 2-iodobenzonitrile SMILES: C1=CC=C(C(=C1)C#N)I

PubChem CID 2759358
CAS 4387-36-4
Molecular Weight (g/mol) 229.02
MDL Number MFCD00079761
SMILES C1=CC=C(C(=C1)C#N)I
Synonym 1-cyano-2-iodobenzene,benzonitrile, 2-iodo,o-iodobenzonitrile,2-iodobenzenecarbonitrile,iodobenzonitrile,2-cyanoiodobenzene,pubchem3932,acmc-209jvq,2-iodobenzonitrile,ksc235m8d
IUPAC Name 2-iodobenzonitrile
InChI Key JDDAFHUEOVUDFJ-UHFFFAOYSA-N
15

Phenyl vinyl sulfone, 98%

CAS: 5535-48-8 Molecular Formula: C8H8O2S Molecular Weight (g/mol): 168.21 MDL Number: MFCD00007554 InChI Key: UJTPZISIAWDGFF-UHFFFAOYSA-N Synonym: phenyl vinyl sulfone,vinylsulfonyl benzene,ethenesulfonyl benzene,benzene, ethenylsulfonyl,sulfone, phenyl vinyl,vinylsulfonylbenzene,phenyl vinyl sulphone,ethenylsulfonyl benzene,ethenesulfonyl-benzene,phenyl-vinylsulfon PubChem CID: 79664 IUPAC Name: ethenylsulfonylbenzene SMILES: C=CS(=O)(=O)C1=CC=CC=C1

PubChem CID 79664
CAS 5535-48-8
Molecular Weight (g/mol) 168.21
MDL Number MFCD00007554
SMILES C=CS(=O)(=O)C1=CC=CC=C1
Synonym phenyl vinyl sulfone,vinylsulfonyl benzene,ethenesulfonyl benzene,benzene, ethenylsulfonyl,sulfone, phenyl vinyl,vinylsulfonylbenzene,phenyl vinyl sulphone,ethenylsulfonyl benzene,ethenesulfonyl-benzene,phenyl-vinylsulfon
IUPAC Name ethenylsulfonylbenzene
InChI Key UJTPZISIAWDGFF-UHFFFAOYSA-N
Molecular Formula C8H8O2S