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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.
Phenylpropenes (2,282)
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1 – 15 of 2,847 results
1

1'-Acetonaphthone, 95%

CAS: 941-98-0 Molecular Formula: C12H10O Molecular Weight (g/mol): 170.21 MDL Number: MFCD00004013 InChI Key: QQLIGMASAVJVON-UHFFFAOYSA-N Synonym: 1'-acetonaphthone,1-acetonaphthone,1-acetylnaphthalene,methyl 1-naphthyl ketone,1-acetonaphthalene,1-1-naphthalenyl ethanone,ethanone, 1-1-naphthalenyl,1-naphthalen-1-yl ethanone,1-naphthyl methyl ketone,alpha-acetonaphthone PubChem CID: 13663 IUPAC Name: 1-naphthalen-1-ylethanone SMILES: CC(=O)C1=CC=CC2=CC=CC=C21

PubChem CID 13663
CAS 941-98-0
Molecular Weight (g/mol) 170.21
MDL Number MFCD00004013
SMILES CC(=O)C1=CC=CC2=CC=CC=C21
Synonym 1'-acetonaphthone,1-acetonaphthone,1-acetylnaphthalene,methyl 1-naphthyl ketone,1-acetonaphthalene,1-1-naphthalenyl ethanone,ethanone, 1-1-naphthalenyl,1-naphthalen-1-yl ethanone,1-naphthyl methyl ketone,alpha-acetonaphthone
IUPAC Name 1-naphthalen-1-ylethanone
InChI Key QQLIGMASAVJVON-UHFFFAOYSA-N
Molecular Formula C12H10O
2

2-Bromo-1-(4-phenoxyphenyl)ethanone 95+%, Thermo Scientific™

CAS: 28179-33-1 Molecular Formula: C14H11BrO2 Molecular Weight (g/mol): 291.14 MDL Number: MFCD01419855 InChI Key: RAXTYMXDSNWNJS-UHFFFAOYSA-N Synonym: 2-bromo-1-4-phenoxyphenyl ethanone,2-bromo-1-4-phenoxyphenyl ethan-1-one,ethanone,2-bromo-1-4-phenoxyphenyl,4-phenoxyphenacyl bromide,2-bromo-4'-phenoxyacetophenone,4'-phenoxy-2-bromoacetophenone,alpha-bromo-4'-phenoxyacetophenone,ethanone, 2-bromo-1-4-phenoxyphenyl PubChem CID: 14797675 IUPAC Name: 2-bromo-1-(4-phenoxyphenyl)ethanone SMILES: BrCC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1

PubChem CID 14797675
CAS 28179-33-1
Molecular Weight (g/mol) 291.14
MDL Number MFCD01419855
SMILES BrCC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1
Synonym 2-bromo-1-4-phenoxyphenyl ethanone,2-bromo-1-4-phenoxyphenyl ethan-1-one,ethanone,2-bromo-1-4-phenoxyphenyl,4-phenoxyphenacyl bromide,2-bromo-4'-phenoxyacetophenone,4'-phenoxy-2-bromoacetophenone,alpha-bromo-4'-phenoxyacetophenone,ethanone, 2-bromo-1-4-phenoxyphenyl
IUPAC Name 2-bromo-1-(4-phenoxyphenyl)ethanone
InChI Key RAXTYMXDSNWNJS-UHFFFAOYSA-N
Molecular Formula C14H11BrO2
3

1-(p-Toluenesulfonyl)indole, 95%

CAS: 31271-90-6 Molecular Formula: C15H13NO2S Molecular Weight (g/mol): 271.33 MDL Number: MFCD01165032 InChI Key: JNRRPYFLDADLJW-UHFFFAOYSA-N Synonym: 1-tosyl-1h-indole,n-tosylindole,1-p-toluenesulfonyl indole,1-4-methylbenzenesulfonyl indole,n-p-toluenesulfonyl indole,1-4-methylphenyl sulfonyl-1h-indole,1-tosylindole,1-p-tolylsulfonyl indole,1-p-toluenesulphonyl indole,4-methylphenyl sulfonyl indole PubChem CID: 10956616 SMILES: CC1=CC=C(C=C1)S(=O)(=O)N1C=CC2=CC=CC=C12

PubChem CID 10956616
CAS 31271-90-6
Molecular Weight (g/mol) 271.33
MDL Number MFCD01165032
SMILES CC1=CC=C(C=C1)S(=O)(=O)N1C=CC2=CC=CC=C12
Synonym 1-tosyl-1h-indole,n-tosylindole,1-p-toluenesulfonyl indole,1-4-methylbenzenesulfonyl indole,n-p-toluenesulfonyl indole,1-4-methylphenyl sulfonyl-1h-indole,1-tosylindole,1-p-tolylsulfonyl indole,1-p-toluenesulphonyl indole,4-methylphenyl sulfonyl indole
InChI Key JNRRPYFLDADLJW-UHFFFAOYSA-N
Molecular Formula C15H13NO2S
4

1-Methyl-1,2,3,4-tetrahydroisoquinoline, 95%

CAS: 4965-09-7 MDL Number: MFCD00798989 IUPAC Name: 1-methyl-1,2,3,4-tetrahydroisoquinoline

CAS 4965-09-7
MDL Number MFCD00798989
IUPAC Name 1-methyl-1,2,3,4-tetrahydroisoquinoline
5

3-Iodo-1-(phenylsulfonyl)indole, 95%

CAS: 80360-14-1 Molecular Formula: C14H10INO2S Molecular Weight (g/mol): 383.20 MDL Number: MFCD09037474 InChI Key: GKYWOZYEMLEJFK-UHFFFAOYSA-N Synonym: 3-iodo-1-phenylsulfonyl-1h-indole,3-iodo-1-phenylsulfonyl indole,1-benzenesulfonyl-3-iodo-1h-indole,1-benzenesulfonyl-3-iodoindole,1-benzenesulfonyl-3-iodo-indole,n-benzenesulfonyl-3-iodoindole,1-phenylsulfonyl-3-iodo-1h-indole,1h-indole,3-iodo-1-phenylsulfonyl PubChem CID: 10927077 IUPAC Name: 1-(benzenesulfonyl)-3-iodoindole SMILES: IC1=CN(C2=CC=CC=C12)S(=O)(=O)C1=CC=CC=C1

PubChem CID 10927077
CAS 80360-14-1
Molecular Weight (g/mol) 383.20
MDL Number MFCD09037474
SMILES IC1=CN(C2=CC=CC=C12)S(=O)(=O)C1=CC=CC=C1
Synonym 3-iodo-1-phenylsulfonyl-1h-indole,3-iodo-1-phenylsulfonyl indole,1-benzenesulfonyl-3-iodo-1h-indole,1-benzenesulfonyl-3-iodoindole,1-benzenesulfonyl-3-iodo-indole,n-benzenesulfonyl-3-iodoindole,1-phenylsulfonyl-3-iodo-1h-indole,1h-indole,3-iodo-1-phenylsulfonyl
IUPAC Name 1-(benzenesulfonyl)-3-iodoindole
InChI Key GKYWOZYEMLEJFK-UHFFFAOYSA-N
Molecular Formula C14H10INO2S
6

1-(4-Chlorobenzhydryl)piperazine, 90-95%

CAS: 303-26-4 Molecular Formula: C17H19ClN2 Molecular Weight (g/mol): 286.79 InChI Key: UZKBSZSTDQSMDR-UHFFFAOYSA-N Synonym: 1-4-chlorobenzhydryl piperazine,norchlorcyclizine,1-4-chlorophenyl phenyl methyl piperazine,n-p-chlorobenzhydryl piperazine,4-4-chlorobenzhydryl piperazine,1-4-chlorophenyl phenylmethyl piperazine,n-4-chlorobenzhydryl piperazine,1-4-chlorophenyl-phenylmethyl piperazine PubChem CID: 9340 IUPAC Name: 1-[(4-chlorophenyl)-phenylmethyl]piperazine SMILES: C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

PubChem CID 9340
CAS 303-26-4
Molecular Weight (g/mol) 286.79
SMILES C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
Synonym 1-4-chlorobenzhydryl piperazine,norchlorcyclizine,1-4-chlorophenyl phenyl methyl piperazine,n-p-chlorobenzhydryl piperazine,4-4-chlorobenzhydryl piperazine,1-4-chlorophenyl phenylmethyl piperazine,n-4-chlorobenzhydryl piperazine,1-4-chlorophenyl-phenylmethyl piperazine
IUPAC Name 1-[(4-chlorophenyl)-phenylmethyl]piperazine
InChI Key UZKBSZSTDQSMDR-UHFFFAOYSA-N
Molecular Formula C17H19ClN2
7

(S)-(-)-1-Phenylpropyl isocyanate, 95%

CAS: 164033-12-9 Molecular Formula: C10H11NO Molecular Weight (g/mol): 161.204 MDL Number: MFCD05664090 InChI Key: XGPXXSJFZSZULR-JTQLQIEISA-N Synonym: s---1-phenylpropyl isocyanate,s-1-phenylpropyl isocyanate,1s-1-isocyanatopropyl benzene,benzene, 1-isocyanatopropyl-, s,5-1-isocyanatopropyl benzene,s-1-isocyanatopropyl benzene,benzene, 1s-1-isocyanatopropyl PubChem CID: 7018275 IUPAC Name: [(1S)-1-isocyanatopropyl]benzene SMILES: CCC(C1=CC=CC=C1)N=C=O

PubChem CID 7018275
CAS 164033-12-9
Molecular Weight (g/mol) 161.204
MDL Number MFCD05664090
SMILES CCC(C1=CC=CC=C1)N=C=O
Synonym s---1-phenylpropyl isocyanate,s-1-phenylpropyl isocyanate,1s-1-isocyanatopropyl benzene,benzene, 1-isocyanatopropyl-, s,5-1-isocyanatopropyl benzene,s-1-isocyanatopropyl benzene,benzene, 1s-1-isocyanatopropyl
IUPAC Name [(1S)-1-isocyanatopropyl]benzene
InChI Key XGPXXSJFZSZULR-JTQLQIEISA-N
Molecular Formula C10H11NO
8

1-Bromo-4-(1,1-difluoroethyl)benzene, 95%

CAS: 1000994-95-5 Molecular Formula: C8H7BrF2 Molecular Weight (g/mol): 221.05 MDL Number: MFCD11110333 InChI Key: QXIBKCFAFRHORF-UHFFFAOYSA-N Synonym: 1-bromo-4-1,1-difluoroethyl benzene,1-bromo-4-1,1-difluoro-ethyl-benzene,benzene, 1-bromo-4-1,1-difluoroethyl,4-1,1-difluoroethyl bromobenzene,bromo-4-1,1-difluoroethyl benzene,1-bromo-4-1,1-difluoroethyl-benzene,1-4-bromophenyl-1,1-difluoroethane PubChem CID: 45158847 IUPAC Name: 1-bromo-4-(1,1-difluoroethyl)benzene SMILES: CC(C1=CC=C(C=C1)Br)(F)F

PubChem CID 45158847
CAS 1000994-95-5
Molecular Weight (g/mol) 221.05
MDL Number MFCD11110333
SMILES CC(C1=CC=C(C=C1)Br)(F)F
Synonym 1-bromo-4-1,1-difluoroethyl benzene,1-bromo-4-1,1-difluoro-ethyl-benzene,benzene, 1-bromo-4-1,1-difluoroethyl,4-1,1-difluoroethyl bromobenzene,bromo-4-1,1-difluoroethyl benzene,1-bromo-4-1,1-difluoroethyl-benzene,1-4-bromophenyl-1,1-difluoroethane
IUPAC Name 1-bromo-4-(1,1-difluoroethyl)benzene
InChI Key QXIBKCFAFRHORF-UHFFFAOYSA-N
Molecular Formula C8H7BrF2
9

1-Bromo-2,4-dimethyl-5-nitrobenzene, 95%

CAS: 69383-59-1 Molecular Formula: C8H8BrNO2 Molecular Weight (g/mol): 230.06 MDL Number: MFCD00075824 InChI Key: HYYJANCKMGXHLQ-UHFFFAOYSA-N Synonym: 5-bromo-2,4-dimethylnitrobenzene,4-bromo-6-nitro-m-xylene,benzene, 1-bromo-2,4-dimethyl-5-nitro,1-bromo-2,4-dimethyl-5-nitro-benzene,2-nitro-4-bromo-m-xylene,2,4-dimethyl-5-nitro-1-bromobenzene,pubchem19926,benzene,1-bromo-2,4-dimethyl-5-nitro PubChem CID: 12474326 IUPAC Name: 1-bromo-2,4-dimethyl-5-nitrobenzene SMILES: CC1=CC(C)=C(Br)C=C1[N+]([O-])=O

PubChem CID 12474326
CAS 69383-59-1
Molecular Weight (g/mol) 230.06
MDL Number MFCD00075824
SMILES CC1=CC(C)=C(Br)C=C1[N+]([O-])=O
Synonym 5-bromo-2,4-dimethylnitrobenzene,4-bromo-6-nitro-m-xylene,benzene, 1-bromo-2,4-dimethyl-5-nitro,1-bromo-2,4-dimethyl-5-nitro-benzene,2-nitro-4-bromo-m-xylene,2,4-dimethyl-5-nitro-1-bromobenzene,pubchem19926,benzene,1-bromo-2,4-dimethyl-5-nitro
IUPAC Name 1-bromo-2,4-dimethyl-5-nitrobenzene
InChI Key HYYJANCKMGXHLQ-UHFFFAOYSA-N
Molecular Formula C8H8BrNO2
10

1-Bromo-3-chloro-2-fluorobenzene, 95%

CAS: 144584-65-6 Molecular Formula: C6H3BrClF Molecular Weight (g/mol): 209.442 MDL Number: MFCD03412182 InChI Key: DRNWNTAANHEQMK-UHFFFAOYSA-N Synonym: 3-chloro-2-fluorobromobenzene,1-bromo-2-fluoro-3-chlorobenzene,1-bromo-3-chloro-2-fluoro-benzene,pubchem4338,acmc-1c0jw,intermediates-zcf02109,ksc493i6p,benzene,1-bromo-3-chloro-2-fluoro PubChem CID: 3685762 IUPAC Name: 1-bromo-3-chloro-2-fluorobenzene SMILES: C1=CC(=C(C(=C1)Br)F)Cl

PubChem CID 3685762
CAS 144584-65-6
Molecular Weight (g/mol) 209.442
MDL Number MFCD03412182
SMILES C1=CC(=C(C(=C1)Br)F)Cl
Synonym 3-chloro-2-fluorobromobenzene,1-bromo-2-fluoro-3-chlorobenzene,1-bromo-3-chloro-2-fluoro-benzene,pubchem4338,acmc-1c0jw,intermediates-zcf02109,ksc493i6p,benzene,1-bromo-3-chloro-2-fluoro
IUPAC Name 1-bromo-3-chloro-2-fluorobenzene
InChI Key DRNWNTAANHEQMK-UHFFFAOYSA-N
Molecular Formula C6H3BrClF
11

2-Bromo-1-fluoro-4-nitrobenzene, 95%

CAS: 701-45-1 Molecular Formula: C6H3BrFNO2 Molecular Weight (g/mol): 219.997 MDL Number: MFCD00055433 InChI Key: FAWMTDSAMOCUAR-UHFFFAOYSA-N Synonym: 3-bromo-4-fluoronitrobenzene,1-bromo-2-fluoro-5-nitrobenzene,3-bromo-4-fluoro-1-nitrobenzene,2-bromo-1-fluoro-4-nitro-benzene,2-bromo-4-nitrofluorobenzene,benzene, 2-bromo-1-fluoro-4-nitro,pubchem8499,acmc-1birt,3-bromo-4-fluoronitrobezene,ksc494c7t PubChem CID: 69699 IUPAC Name: 2-bromo-1-fluoro-4-nitrobenzene SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Br)F

PubChem CID 69699
CAS 701-45-1
Molecular Weight (g/mol) 219.997
MDL Number MFCD00055433
SMILES C1=CC(=C(C=C1[N+](=O)[O-])Br)F
Synonym 3-bromo-4-fluoronitrobenzene,1-bromo-2-fluoro-5-nitrobenzene,3-bromo-4-fluoro-1-nitrobenzene,2-bromo-1-fluoro-4-nitro-benzene,2-bromo-4-nitrofluorobenzene,benzene, 2-bromo-1-fluoro-4-nitro,pubchem8499,acmc-1birt,3-bromo-4-fluoronitrobezene,ksc494c7t
IUPAC Name 2-bromo-1-fluoro-4-nitrobenzene
InChI Key FAWMTDSAMOCUAR-UHFFFAOYSA-N
Molecular Formula C6H3BrFNO2
12

1-(4-Iodophenyl)hydrazine 95%, Thermo Scientific™

CAS: 13116-27-3 Molecular Formula: C6H7IN2 Molecular Weight (g/mol): 234.04 InChI Key: IQMLCMKMSBMMGR-UHFFFAOYSA-N Synonym: 4-iodophenyl hydrazine,1-4-iodophenyl hydrazine,4-iodo-phenyl-hydrazine,4-iodo phenyl hydrazine,p-iodophenyl-hydrazine,4-iodophenyl diazane,pubchem15797,acmc-1brf1,1-hydrazino-4-iodobenzene,4-iodophenylhydrazine PubChem CID: 704591 IUPAC Name: (4-iodophenyl)hydrazine SMILES: C1=CC(=CC=C1NN)I

PubChem CID 704591
CAS 13116-27-3
Molecular Weight (g/mol) 234.04
SMILES C1=CC(=CC=C1NN)I
Synonym 4-iodophenyl hydrazine,1-4-iodophenyl hydrazine,4-iodo-phenyl-hydrazine,4-iodo phenyl hydrazine,p-iodophenyl-hydrazine,4-iodophenyl diazane,pubchem15797,acmc-1brf1,1-hydrazino-4-iodobenzene,4-iodophenylhydrazine
IUPAC Name (4-iodophenyl)hydrazine
InChI Key IQMLCMKMSBMMGR-UHFFFAOYSA-N
Molecular Formula C6H7IN2
13

1-(2-Fluorophenyl)ethanol, 95%, Thermo Scientific Chemicals

CAS: 445-26-1 Molecular Formula: C8H9FO Molecular Weight (g/mol): 140.157 MDL Number: MFCD00014401 InChI Key: SXFYVXSOEBCFLV-UHFFFAOYSA-N Synonym: 1-2-fluorophenyl ethanol,2-fluorophenylmethylcarbinol,2-fluoro-alpha-methylbenzyl alcohol,1-2-fluorophenyl ethan-1-ol,o-fluorophenylmethylcarbinol,2-fluorophenyl methyl carbinol,2-fluorophenylethanol,1-m-fluorophenyl ethanol,1-2'-fluorophenyl ethanol,fluorophenylmethylcarbinol PubChem CID: 123066 IUPAC Name: 1-(2-fluorophenyl)ethanol SMILES: CC(C1=CC=CC=C1F)O

PubChem CID 123066
CAS 445-26-1
Molecular Weight (g/mol) 140.157
MDL Number MFCD00014401
SMILES CC(C1=CC=CC=C1F)O
Synonym 1-2-fluorophenyl ethanol,2-fluorophenylmethylcarbinol,2-fluoro-alpha-methylbenzyl alcohol,1-2-fluorophenyl ethan-1-ol,o-fluorophenylmethylcarbinol,2-fluorophenyl methyl carbinol,2-fluorophenylethanol,1-m-fluorophenyl ethanol,1-2'-fluorophenyl ethanol,fluorophenylmethylcarbinol
IUPAC Name 1-(2-fluorophenyl)ethanol
InChI Key SXFYVXSOEBCFLV-UHFFFAOYSA-N
Molecular Formula C8H9FO
14

(S)-(-)-1-(4-Fluorophenyl)ethyl isocyanate, 95%

CAS: 745783-74-8 Molecular Formula: C9H8FNO Molecular Weight (g/mol): 165.167 MDL Number: MFCD05664076 InChI Key: MUHCZVYPBWOTTJ-ZETCQYMHSA-N Synonym: s---1-4-fluorophenyl ethyl isocyanate,1-fluoro-4-1s-1-isocyanatoethyl benzene,benzene, 1-fluoro-4-1s-1-isocyanatoethyl-9ci PubChem CID: 7018264 IUPAC Name: 1-fluoro-4-[(1S)-1-isocyanatoethyl]benzene SMILES: CC(C1=CC=C(C=C1)F)N=C=O

PubChem CID 7018264
CAS 745783-74-8
Molecular Weight (g/mol) 165.167
MDL Number MFCD05664076
SMILES CC(C1=CC=C(C=C1)F)N=C=O
Synonym s---1-4-fluorophenyl ethyl isocyanate,1-fluoro-4-1s-1-isocyanatoethyl benzene,benzene, 1-fluoro-4-1s-1-isocyanatoethyl-9ci
IUPAC Name 1-fluoro-4-[(1S)-1-isocyanatoethyl]benzene
InChI Key MUHCZVYPBWOTTJ-ZETCQYMHSA-N
Molecular Formula C9H8FNO
15

1,1':3',1″-Terphenyl-5'-boronic acid, 95%

CAS: 128388-54-5 Molecular Formula: C18H15BO2 Molecular Weight (g/mol): 274.126 MDL Number: MFCD09953491 InChI Key: MRBZYVMZUBUDAX-UHFFFAOYSA-N Synonym: 3,5-diphenylphenyl boronic acid,1,1':3',1-terphenyl-5'-ylboronic acid,1,1':3',1-terphenyl-5'-boronic acid,3,5-diphenylbenzeneboronic acid,5'-m-terphenylboronic acid,boronic acid, 1,1':3',1-terphenyl-5'-yl,boronic acid,b-1,1':3',1-terphenyl-5'-yl,5-phenyl-1,1'-biphenyl-3-ylboronic acid,3,5-diphenylphenyl,acmc-1cc4x PubChem CID: 14739363 IUPAC Name: (3,5-diphenylphenyl)boronic acid SMILES: B(C1=CC(=CC(=C1)C2=CC=CC=C2)C3=CC=CC=C3)(O)O

PubChem CID 14739363
CAS 128388-54-5
Molecular Weight (g/mol) 274.126
MDL Number MFCD09953491
SMILES B(C1=CC(=CC(=C1)C2=CC=CC=C2)C3=CC=CC=C3)(O)O
Synonym 3,5-diphenylphenyl boronic acid,1,1':3',1-terphenyl-5'-ylboronic acid,1,1':3',1-terphenyl-5'-boronic acid,3,5-diphenylbenzeneboronic acid,5'-m-terphenylboronic acid,boronic acid, 1,1':3',1-terphenyl-5'-yl,boronic acid,b-1,1':3',1-terphenyl-5'-yl,5-phenyl-1,1'-biphenyl-3-ylboronic acid,3,5-diphenylphenyl,acmc-1cc4x
IUPAC Name (3,5-diphenylphenyl)boronic acid
InChI Key MRBZYVMZUBUDAX-UHFFFAOYSA-N
Molecular Formula C18H15BO2