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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3,856 – 3,870 of 57,011 results

3,856

4-Chloro-2,6-difluorobenzoic acid, 97%

CAS: 196194-58-8 Molecular Formula: C7H3ClF2O2 Molecular Weight (g/mol): 192.546 MDL Number: MFCD06203570 InChI Key: ZCJKTGPZLLGECQ-UHFFFAOYSA-N PubChem CID: 17750684 IUPAC Name: 4-chloro-2,6-difluorobenzoic acid SMILES: C1=C(C=C(C(=C1F)C(=O)O)F)Cl

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Specifications

PubChem CID	17750684
CAS	196194-58-8
Molecular Weight (g/mol)	192.546
MDL Number	MFCD06203570
SMILES	C1=C(C=C(C(=C1F)C(=O)O)F)Cl
IUPAC Name	4-chloro-2,6-difluorobenzoic acid
InChI Key	ZCJKTGPZLLGECQ-UHFFFAOYSA-N
Molecular Formula	C7H3ClF2O2

3,857

2-Nitrotoluene, 99+%

CAS: 88-72-2 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.138 MDL Number: MFCD00007157 InChI Key: PLAZTCDQAHEYBI-UHFFFAOYSA-N Synonym: 2-nitrotoluene,o-nitrotoluene,o-nitrotoluol,o-methylnitrobenzene,benzene, 1-methyl-2-nitro,toluene, o-nitro,2-methyl-1-nitrobenzene,2-nitrotoluol,ortho-nitrotoluol,2-methylnitrobenzene PubChem CID: 6944 ChEBI: CHEBI:33098 IUPAC Name: 1-methyl-2-nitrobenzene SMILES: CC1=CC=CC=C1[N+](=O)[O-]

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Specifications

PubChem CID	6944
CAS	88-72-2
Molecular Weight (g/mol)	137.138
ChEBI	CHEBI:33098
MDL Number	MFCD00007157
SMILES	CC1=CC=CC=C1[N+](=O)[O-]
Synonym	2-nitrotoluene,o-nitrotoluene,o-nitrotoluol,o-methylnitrobenzene,benzene, 1-methyl-2-nitro,toluene, o-nitro,2-methyl-1-nitrobenzene,2-nitrotoluol,ortho-nitrotoluol,2-methylnitrobenzene
IUPAC Name	1-methyl-2-nitrobenzene
InChI Key	PLAZTCDQAHEYBI-UHFFFAOYSA-N
Molecular Formula	C7H7NO2

3,858

1,3-Dichloro-2-iodobenzene, 98%

CAS: 19230-28-5 Molecular Formula: C6H3Cl2I Molecular Weight (g/mol): 272.89 MDL Number: MFCD00060658 InChI Key: ZMPGXSFTXBOKFM-UHFFFAOYSA-N PubChem CID: 140498 IUPAC Name: 1,3-dichloro-2-iodobenzene SMILES: ClC1=CC=CC(Cl)=C1I

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Specifications

PubChem CID	140498
CAS	19230-28-5
Molecular Weight (g/mol)	272.89
MDL Number	MFCD00060658
SMILES	ClC1=CC=CC(Cl)=C1I
IUPAC Name	1,3-dichloro-2-iodobenzene
InChI Key	ZMPGXSFTXBOKFM-UHFFFAOYSA-N
Molecular Formula	C6H3Cl2I

3,859

4-Chlorostyrene, 98+%, stab

CAS: 1073-67-2 Molecular Formula: C8H7Cl Molecular Weight (g/mol): 138.59 MDL Number: MFCD00000632 InChI Key: KTZVZZJJVJQZHV-UHFFFAOYSA-N Synonym: 4-chlorostyrene,p-chlorostyrene,1-chloro-4-vinylbenzene,parachlorostyrene,benzene, 1-chloro-4-ethenyl,styrene, p-chloro,styrene, 4-chloro,unii-t0j05u220f,para-chlorostyrene PubChem CID: 14085 IUPAC Name: 1-chloro-4-ethenylbenzene SMILES: ClC1=CC=C(C=C)C=C1

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Specifications

PubChem CID	14085
CAS	1073-67-2
Molecular Weight (g/mol)	138.59
MDL Number	MFCD00000632
SMILES	ClC1=CC=C(C=C)C=C1
Synonym	4-chlorostyrene,p-chlorostyrene,1-chloro-4-vinylbenzene,parachlorostyrene,benzene, 1-chloro-4-ethenyl,styrene, p-chloro,styrene, 4-chloro,unii-t0j05u220f,para-chlorostyrene
IUPAC Name	1-chloro-4-ethenylbenzene
InChI Key	KTZVZZJJVJQZHV-UHFFFAOYSA-N
Molecular Formula	C8H7Cl

3,860

2-Chloro-N-phenylbenzamide, 97%, Thermo Scientific Chemicals

CAS: 6833-13-2 Molecular Formula: C13H10ClNO Molecular Weight (g/mol): 231.68 MDL Number: MFCD00016336 InChI Key: AXQVIWHAEYLGLO-UHFFFAOYSA-N Synonym: 2-chlorobenzanilide,o-chlorobenzanilide,2-chlorobenzoanilide,benzamide, 2-chloro-n-phenyl,2-chlorobenzoic acid anilide,benzanilide, 2-chloro,n-phenyl-2-chlorobenzamide,2-chloro-n-phenyl benzamide,2-chloro-n-phenyl-benzamide,2-chlorophenyl-n-benzamide PubChem CID: 23265 IUPAC Name: 2-chloro-N-phenylbenzamide SMILES: ClC1=CC=CC=C1C(=O)NC1=CC=CC=C1

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Specifications

PubChem CID	23265
CAS	6833-13-2
Molecular Weight (g/mol)	231.68
MDL Number	MFCD00016336
SMILES	ClC1=CC=CC=C1C(=O)NC1=CC=CC=C1
Synonym	2-chlorobenzanilide,o-chlorobenzanilide,2-chlorobenzoanilide,benzamide, 2-chloro-n-phenyl,2-chlorobenzoic acid anilide,benzanilide, 2-chloro,n-phenyl-2-chlorobenzamide,2-chloro-n-phenyl benzamide,2-chloro-n-phenyl-benzamide,2-chlorophenyl-n-benzamide
IUPAC Name	2-chloro-N-phenylbenzamide
InChI Key	AXQVIWHAEYLGLO-UHFFFAOYSA-N
Molecular Formula	C13H10ClNO

3,861

Methyl 4-hydroxy-3-iodobenzoate, 98%

CAS: 15126-06-4 Molecular Formula: C8H7IO3 Molecular Weight (g/mol): 278.045 MDL Number: MFCD05664378 InChI Key: PXNOLLHARLSLHY-UHFFFAOYSA-N Synonym: methyl4-hydroxy-3-iodobenzoate,methyl 3-iodo-4-hydroxybenzoate,methyl 4-hydroxy-3-iodo-benzoate,4-hydroxy-3-iodobenzoic acid methyl ester,4-hydroxy-3-iodo-benzoic acid methyl ester,benzoic acid, 4-hydroxy-3-iodo-, methyl ester,4-hydroxy-3-iodo-benzoicacidmethylester,acmc-209zk0,ksc495e2f,methyl 4-hydroxy-3-iodbenzoate PubChem CID: 11346465 IUPAC Name: methyl 4-hydroxy-3-iodobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)O)I

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Specifications

PubChem CID	11346465
CAS	15126-06-4
Molecular Weight (g/mol)	278.045
MDL Number	MFCD05664378
SMILES	COC(=O)C1=CC(=C(C=C1)O)I
Synonym	methyl4-hydroxy-3-iodobenzoate,methyl 3-iodo-4-hydroxybenzoate,methyl 4-hydroxy-3-iodo-benzoate,4-hydroxy-3-iodobenzoic acid methyl ester,4-hydroxy-3-iodo-benzoic acid methyl ester,benzoic acid, 4-hydroxy-3-iodo-, methyl ester,4-hydroxy-3-iodo-benzoicacidmethylester,acmc-209zk0,ksc495e2f,methyl 4-hydroxy-3-iodbenzoate
IUPAC Name	methyl 4-hydroxy-3-iodobenzoate
InChI Key	PXNOLLHARLSLHY-UHFFFAOYSA-N
Molecular Formula	C8H7IO3

3,862

2-Bromo-5-methoxybenzonitrile, 98%, Thermo Scientific Chemicals

CAS: 138642-47-4 Molecular Formula: C8H6BrNO Molecular Weight (g/mol): 212.046 MDL Number: MFCD01861260 InChI Key: ZQONVYONOASKIY-UHFFFAOYSA-N Synonym: benzonitrile,2-bromo-5-methoxy,2-bromo-5-methoxybenzenecarbonitrile,4-bromo-3-cyanoanisole,acmc-20ag98,2-bromo-5-methoxy benzonitrile,2-bromo-5-methoxybenzonitrile,2-bromanyl-5-methoxy-benzenecarbonitrile PubChem CID: 21784096 IUPAC Name: 2-bromo-5-methoxybenzonitrile SMILES: COC1=CC(=C(C=C1)Br)C#N

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Specifications

PubChem CID	21784096
CAS	138642-47-4
Molecular Weight (g/mol)	212.046
MDL Number	MFCD01861260
SMILES	COC1=CC(=C(C=C1)Br)C#N
Synonym	benzonitrile,2-bromo-5-methoxy,2-bromo-5-methoxybenzenecarbonitrile,4-bromo-3-cyanoanisole,acmc-20ag98,2-bromo-5-methoxy benzonitrile,2-bromo-5-methoxybenzonitrile,2-bromanyl-5-methoxy-benzenecarbonitrile
IUPAC Name	2-bromo-5-methoxybenzonitrile
InChI Key	ZQONVYONOASKIY-UHFFFAOYSA-N
Molecular Formula	C8H6BrNO

3,863

1,1-Dichlorodimethyl ether, 97%

CAS: 4885-02-3 Molecular Formula: C₂H₄Cl₂O Molecular Weight (g/mol): 114.96 MDL Number: MFCD00000828 InChI Key: GRTGGSXWHGKRSB-UHFFFAOYSA-N SMILES: COC(Cl)Cl

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Specifications

CAS	4885-02-3
Molecular Weight (g/mol)	114.96
MDL Number	MFCD00000828
SMILES	COC(Cl)Cl
InChI Key	GRTGGSXWHGKRSB-UHFFFAOYSA-N
Molecular Formula	C₂H₄Cl₂O

3,864

2,3,4,5,6-Pentafluorobenzeneboronic acid pinacol ester, 96%

CAS: 325142-81-2 Molecular Formula: C12H12BF5O2 Molecular Weight (g/mol): 294.028 MDL Number: MFCD12405352 InChI Key: FTJVUPKSBLYGSY-UHFFFAOYSA-N Synonym: 4,4,5,5-tetramethyl-2-perfluorophenyl-1,3,2-dioxaborolane,4,4,5,5-tetramethyl-2-pentafluorophenyl-1,3,2-dioxaborolane,4,4,5,5-tetramethyl-2-2,3,4,5,6-pentafluorophenyl-1,3,2-dioxaborolane,perfluorophenylboronic acid,pinacol ester,perfluorophenylbornic acid, pinacol ester,perfluorophenylboronic acid, pinacol ester,2,3,4,5,6-pentafluorobenzeneboronic acid pinacol ester,2,3,4,5,6-pentafluorophenylboronic acid pinacol ester,1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-2,3,4,5,6-pentafluorophenyl,1-4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl-2,3,4,5,6-pentafluorobenzene PubChem CID: 23065713 IUPAC Name: 4,4,5,5-tetramethyl-2-(2,3,4,5,6-pentafluorophenyl)-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C(=C(C(=C2F)F)F)F)F

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Specifications

PubChem CID	23065713
CAS	325142-81-2
Molecular Weight (g/mol)	294.028
MDL Number	MFCD12405352
SMILES	B1(OC(C(O1)(C)C)(C)C)C2=C(C(=C(C(=C2F)F)F)F)F
Synonym	4,4,5,5-tetramethyl-2-perfluorophenyl-1,3,2-dioxaborolane,4,4,5,5-tetramethyl-2-pentafluorophenyl-1,3,2-dioxaborolane,4,4,5,5-tetramethyl-2-2,3,4,5,6-pentafluorophenyl-1,3,2-dioxaborolane,perfluorophenylboronic acid,pinacol ester,perfluorophenylbornic acid, pinacol ester,perfluorophenylboronic acid, pinacol ester,2,3,4,5,6-pentafluorobenzeneboronic acid pinacol ester,2,3,4,5,6-pentafluorophenylboronic acid pinacol ester,1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-2,3,4,5,6-pentafluorophenyl,1-4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl-2,3,4,5,6-pentafluorobenzene
IUPAC Name	4,4,5,5-tetramethyl-2-(2,3,4,5,6-pentafluorophenyl)-1,3,2-dioxaborolane
InChI Key	FTJVUPKSBLYGSY-UHFFFAOYSA-N
Molecular Formula	C12H12BF5O2

3,865

4-[(4-Aminophenyl)azo]-2-chlorophenol, 95%

CAS: 669092-47-1 Molecular Formula: C12H10ClN3O Molecular Weight (g/mol): 247.682 MDL Number: MFCD26401540 InChI Key: NWMGUTQRHABSPF-UHFFFAOYSA-N Synonym: e-4-4-aminophenyl diazenyl-2-chlorophenol,4-e-2-4-aminophenyl diazen-1-yl-2-chlorophenol PubChem CID: 86339119 IUPAC Name: 4-[(4-aminophenyl)hydrazinylidene]-2-chlorocyclohexa-2,5-dien-1-one SMILES: C1=CC(=CC=C1N)NN=C2C=CC(=O)C(=C2)Cl

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Specifications

PubChem CID	86339119
CAS	669092-47-1
Molecular Weight (g/mol)	247.682
MDL Number	MFCD26401540
SMILES	C1=CC(=CC=C1N)NN=C2C=CC(=O)C(=C2)Cl
Synonym	e-4-4-aminophenyl diazenyl-2-chlorophenol,4-e-2-4-aminophenyl diazen-1-yl-2-chlorophenol
IUPAC Name	4-[(4-aminophenyl)hydrazinylidene]-2-chlorocyclohexa-2,5-dien-1-one
InChI Key	NWMGUTQRHABSPF-UHFFFAOYSA-N
Molecular Formula	C12H10ClN3O

3,866

3-Methoxyphenyl isocyanate, 99%

CAS: 18908-07-1 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.149 MDL Number: MFCD00002019 InChI Key: NPOVTGVGOBJZPY-UHFFFAOYSA-N Synonym: 3-methoxyphenyl isocyanate,benzene, 1-isocyanato-3-methoxy,isocyanic acid 3-methoxyphenyl ester,3-isocyanatoanisole,3-methoxyphenylisocyanate,m-methoxyphenyl isocyanate,1-isocyanato-3-methoxy-benzene,3-methoxybenzenisocyanate,m-anisyl isocyanate,m-methoxyphenylisocyanate PubChem CID: 87843 IUPAC Name: 1-isocyanato-3-methoxybenzene SMILES: COC1=CC=CC(=C1)N=C=O

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Specifications

PubChem CID	87843
CAS	18908-07-1
Molecular Weight (g/mol)	149.149
MDL Number	MFCD00002019
SMILES	COC1=CC=CC(=C1)N=C=O
Synonym	3-methoxyphenyl isocyanate,benzene, 1-isocyanato-3-methoxy,isocyanic acid 3-methoxyphenyl ester,3-isocyanatoanisole,3-methoxyphenylisocyanate,m-methoxyphenyl isocyanate,1-isocyanato-3-methoxy-benzene,3-methoxybenzenisocyanate,m-anisyl isocyanate,m-methoxyphenylisocyanate
IUPAC Name	1-isocyanato-3-methoxybenzene
InChI Key	NPOVTGVGOBJZPY-UHFFFAOYSA-N
Molecular Formula	C8H7NO2

3,867

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

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Specifications

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

3,868

2-Ethoxybenzyl alcohol, 98%

CAS: 71672-75-8 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00004616 InChI Key: ICJVQAHPHKYCNU-UHFFFAOYSA-N Synonym: 2-ethoxyphenyl methanol,2-ethoxybenzyl alcohol,benzenemethanol, 2-ethoxy,o-ethoxybenzyl alcohol,ethyl ether of saligenin,2-ethoxybenzylalcohol,2-ethoxybenzenemethanol,benzyl alcohol, o-ethoxy,benzenemethanol, 2-ethoxy-9ci,acmc-1bgrn PubChem CID: 51381 IUPAC Name: (2-ethoxyphenyl)methanol SMILES: CCOC1=CC=CC=C1CO

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Specifications

PubChem CID	51381
CAS	71672-75-8
Molecular Weight (g/mol)	152.19
MDL Number	MFCD00004616
SMILES	CCOC1=CC=CC=C1CO
Synonym	2-ethoxyphenyl methanol,2-ethoxybenzyl alcohol,benzenemethanol, 2-ethoxy,o-ethoxybenzyl alcohol,ethyl ether of saligenin,2-ethoxybenzylalcohol,2-ethoxybenzenemethanol,benzyl alcohol, o-ethoxy,benzenemethanol, 2-ethoxy-9ci,acmc-1bgrn
IUPAC Name	(2-ethoxyphenyl)methanol
InChI Key	ICJVQAHPHKYCNU-UHFFFAOYSA-N
Molecular Formula	C9H12O2

3,869

3-Iodobenzeneboronic acid pinacol ester, 97%

CAS: 408492-28-4 Molecular Formula: C12H16BIO2 Molecular Weight (g/mol): 329.97 MDL Number: MFCD09953498 InChI Key: HSHFNMSHDHAHDN-UHFFFAOYSA-N Synonym: 2-3-iodophenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,3-iodophenylboronic acid pinacol ester,amtb088,3-iodophenylboronic acid pinacolester,1,3,2-dioxaborolane,2-3-iodophenyl-4,4,5,5-tetramethyl,2-3-iodanylphenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,3-iodo-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzene PubChem CID: 11313483 IUPAC Name: 2-(3-iodophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)C1=CC(I)=CC=C1

Pricing & Availability
Specifications

PubChem CID	11313483
CAS	408492-28-4
Molecular Weight (g/mol)	329.97
MDL Number	MFCD09953498
SMILES	CC1(C)OB(OC1(C)C)C1=CC(I)=CC=C1
Synonym	2-3-iodophenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,3-iodophenylboronic acid pinacol ester,amtb088,3-iodophenylboronic acid pinacolester,1,3,2-dioxaborolane,2-3-iodophenyl-4,4,5,5-tetramethyl,2-3-iodanylphenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,3-iodo-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzene
IUPAC Name	2-(3-iodophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI Key	HSHFNMSHDHAHDN-UHFFFAOYSA-N
Molecular Formula	C12H16BIO2

3,870

3-Benzyloxybenzoic acid, 98%

CAS: 69026-14-8 Molecular Formula: C14H11O3 Molecular Weight (g/mol): 227.24 MDL Number: MFCD00527901 InChI Key: CISXCTKEQYOZAM-UHFFFAOYSA-M Synonym: 3-benzyloxy benzoic acid,3-benzyloxybenzoic acid,benzoic acid, 3-phenylmethoxy,3-benzyloxy-benzoic acid,3-phenylmethoxy benzoic acid,enamine_004835,acmc-1b5k3 PubChem CID: 309226 IUPAC Name: 3-phenylmethoxybenzoic acid SMILES: [O-]C(=O)C1=CC=CC(OCC2=CC=CC=C2)=C1

Pricing & Availability
Specifications

PubChem CID	309226
CAS	69026-14-8
Molecular Weight (g/mol)	227.24
MDL Number	MFCD00527901
SMILES	[O-]C(=O)C1=CC=CC(OCC2=CC=CC=C2)=C1
Synonym	3-benzyloxy benzoic acid,3-benzyloxybenzoic acid,benzoic acid, 3-phenylmethoxy,3-benzyloxy-benzoic acid,3-phenylmethoxy benzoic acid,enamine_004835,acmc-1b5k3
IUPAC Name	3-phenylmethoxybenzoic acid
InChI Key	CISXCTKEQYOZAM-UHFFFAOYSA-M
Molecular Formula	C14H11O3

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