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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4,321 – 4,335 of 57,266 results

4,321

4-Fluorobenzamide, 98%

CAS: 824-75-9 Molecular Formula: C₇H₆FNO Molecular Weight (g/mol): 139.13 MDL Number: MFCD00007992 InChI Key: VNDHYTGVCGVETQ-UHFFFAOYSA-N Synonym: p-fluorobenzamide,benzamide, 4-fluoro,benzamide, p-fluoro,p-fluorobenzoic acid amide,4-fluoro-benzamide,unii-yb79f3xb1g,yb79f3xb1g,4fluorobenzamide,4-fluorobenzoamide,pubchem3407 PubChem CID: 71572 IUPAC Name: 4-fluorobenzamide SMILES: C1=CC(=CC=C1C(=O)N)F

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Specifications

PubChem CID	71572
CAS	824-75-9
Molecular Weight (g/mol)	139.13
MDL Number	MFCD00007992
SMILES	C1=CC(=CC=C1C(=O)N)F
Synonym	p-fluorobenzamide,benzamide, 4-fluoro,benzamide, p-fluoro,p-fluorobenzoic acid amide,4-fluoro-benzamide,unii-yb79f3xb1g,yb79f3xb1g,4fluorobenzamide,4-fluorobenzoamide,pubchem3407
IUPAC Name	4-fluorobenzamide
InChI Key	VNDHYTGVCGVETQ-UHFFFAOYSA-N
Molecular Formula	C₇H₆FNO

4,322

(R)-(+)-1-(4-Bromophenyl)ethylamine, ChiPros, 99%, ee 98%

CAS: 45791-36-4 Molecular Formula: C8H10BrN Molecular Weight (g/mol): 200.079 MDL Number: MFCD00066025 InChI Key: SOZMSEPDYJGBEK-ZCFIWIBFSA-N Synonym: r-1-4-bromophenyl ethylamine,r-+-1-4-bromophenyl ethylamine,r-1-4-bromophenyl ethanamine,1r-1-4-bromophenyl ethanamine,1r-1-4-bromophenyl ethan-1-amine,r-1-4-bromophenyl-ethylamine,r-4-bromo-alpha-methylbenzylamine,r-+-4-bromo a-methylbenzylamine,p-bromo-a-methylbenzylamine,pubchem14234 PubChem CID: 853000 IUPAC Name: (1R)-1-(4-bromophenyl)ethanamine SMILES: CC(C1=CC=C(C=C1)Br)N

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Specifications

PubChem CID	853000
CAS	45791-36-4
Molecular Weight (g/mol)	200.079
MDL Number	MFCD00066025
SMILES	CC(C1=CC=C(C=C1)Br)N
Synonym	r-1-4-bromophenyl ethylamine,r-+-1-4-bromophenyl ethylamine,r-1-4-bromophenyl ethanamine,1r-1-4-bromophenyl ethanamine,1r-1-4-bromophenyl ethan-1-amine,r-1-4-bromophenyl-ethylamine,r-4-bromo-alpha-methylbenzylamine,r-+-4-bromo a-methylbenzylamine,p-bromo-a-methylbenzylamine,pubchem14234
IUPAC Name	(1R)-1-(4-bromophenyl)ethanamine
InChI Key	SOZMSEPDYJGBEK-ZCFIWIBFSA-N
Molecular Formula	C8H10BrN

4,323

Bis(triphenylphosphine)palladium(II) chloride, for analysis, 15% Pd

CAS: 13965-03-2 Molecular Formula: C36H30Cl2P2Pd Molecular Weight (g/mol): 701.90 MDL Number: MFCD00009593 InChI Key: YNHIGQDRGKUECZ-UHFFFAOYSA-L Synonym: bis triphenylphosphine palladium ii dichloride,bis triphenylphosphine palladium ii chloride,dichlorobis triphenylphosphine palladium,bis triphenylphosphine palladium chloride,bis triphenylphosphine palladiuml ii dichloride,palladium 2+ ; triphenylphosphane; dichloride,trans-dichlorobis triphenylphosphine palladium ii 1g PubChem CID: 131664180 IUPAC Name: ethane;methane;palladium(2+);triphenylphosphane;dichloride SMILES: [Cl-].[Cl-].[Pd++].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	131664180
CAS	13965-03-2
Molecular Weight (g/mol)	701.90
MDL Number	MFCD00009593
SMILES	[Cl-].[Cl-].[Pd++].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	bis triphenylphosphine palladium ii dichloride,bis triphenylphosphine palladium ii chloride,dichlorobis triphenylphosphine palladium,bis triphenylphosphine palladium chloride,bis triphenylphosphine palladiuml ii dichloride,palladium 2+ ; triphenylphosphane; dichloride,trans-dichlorobis triphenylphosphine palladium ii 1g
IUPAC Name	ethane;methane;palladium(2+);triphenylphosphane;dichloride
InChI Key	YNHIGQDRGKUECZ-UHFFFAOYSA-L
Molecular Formula	C36H30Cl2P2Pd

4,324

2-Chloro-4-(trifluoromethyl)aniline, 98%

CAS: 39885-50-2 Molecular Formula: C7H5ClF3N Molecular Weight (g/mol): 195.57 MDL Number: MFCD00042563 InChI Key: MBBUTABXEITVNY-UHFFFAOYSA-N Synonym: 2-chloro-4-trifluoromethyl aniline,4-amino-3-chlorobenzotrifluoride,4-amino-5-chloro-benzotrifluoride,benzenamine, 2-chloro-4-trifluoromethyl,3-chloro-4-aminobenzotrifluoride,2-chloro-4-trifluoromethyl-phenylamine,2-chloro-4-trifluoromethyl benzenamine,2-chloro-4-trifluoromethyl phenylamine,4-amino-3-chloro-benzotrifluoride,pubchem2474 PubChem CID: 162001 IUPAC Name: 2-chloro-4-(trifluoromethyl)aniline SMILES: NC1=CC=C(C=C1Cl)C(F)(F)F

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Specifications

PubChem CID	162001
CAS	39885-50-2
Molecular Weight (g/mol)	195.57
MDL Number	MFCD00042563
SMILES	NC1=CC=C(C=C1Cl)C(F)(F)F
Synonym	2-chloro-4-trifluoromethyl aniline,4-amino-3-chlorobenzotrifluoride,4-amino-5-chloro-benzotrifluoride,benzenamine, 2-chloro-4-trifluoromethyl,3-chloro-4-aminobenzotrifluoride,2-chloro-4-trifluoromethyl-phenylamine,2-chloro-4-trifluoromethyl benzenamine,2-chloro-4-trifluoromethyl phenylamine,4-amino-3-chloro-benzotrifluoride,pubchem2474
IUPAC Name	2-chloro-4-(trifluoromethyl)aniline
InChI Key	MBBUTABXEITVNY-UHFFFAOYSA-N
Molecular Formula	C7H5ClF3N

4,325

4-(Bromomethyl)benzaldehyde, 97%, Thermo Scientific™

CAS: 51359-78-5 Molecular Formula: C8H7BrO Molecular Weight (g/mol): 199.047 InChI Key: XYPVBKDHERGKJG-UHFFFAOYSA-N PubChem CID: 11206421 IUPAC Name: 4-(bromomethyl)benzaldehyde SMILES: C1=CC(=CC=C1CBr)C=O

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Specifications

PubChem CID	11206421
CAS	51359-78-5
Molecular Weight (g/mol)	199.047
SMILES	C1=CC(=CC=C1CBr)C=O
IUPAC Name	4-(bromomethyl)benzaldehyde
InChI Key	XYPVBKDHERGKJG-UHFFFAOYSA-N
Molecular Formula	C8H7BrO

4,326

2-Chloro-3-nitrobenzoic acid, 98%

CAS: 3970-35-2 Molecular Formula: C₇H₄ClNO₄ Molecular Weight (g/mol): 201.57 MDL Number: MFCD00007069 InChI Key: JRQDVRIQJJPHEQ-UHFFFAOYSA-N Synonym: 2-chloro-3-nitrobenzoic acid,2-chloro-3-nitro-benzoic acid,2-chloro-3-nitrobenzoicacid,benzoic acid, 2-chloro-3-nitro,2-chloro-3-carboxynitrobenzene,nitrochlorbenzoesaure,pubchem2100,acmc-1ctvl,2-chloro-3-nitrobenzic acid,2-chloro-3-nitrobezoic acid PubChem CID: 19870 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(=O)O

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Specifications

PubChem CID	19870
CAS	3970-35-2
Molecular Weight (g/mol)	201.57
MDL Number	MFCD00007069
SMILES	C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(=O)O
Synonym	2-chloro-3-nitrobenzoic acid,2-chloro-3-nitro-benzoic acid,2-chloro-3-nitrobenzoicacid,benzoic acid, 2-chloro-3-nitro,2-chloro-3-carboxynitrobenzene,nitrochlorbenzoesaure,pubchem2100,acmc-1ctvl,2-chloro-3-nitrobenzic acid,2-chloro-3-nitrobezoic acid
InChI Key	JRQDVRIQJJPHEQ-UHFFFAOYSA-N
Molecular Formula	C₇H₄ClNO₄

4,327

4-Bromobenzyl alcohol, 99%

CAS: 873-75-6 Molecular Formula: C₇H₇BrO Molecular Weight (g/mol): 187.04 MDL Number: MFCD00004650 InChI Key: VEDDBHYQWFOITD-UHFFFAOYSA-N Synonym: 4-bromobenzyl alcohol,4-bromophenyl methanol,p-bromobenzyl alcohol,benzenemethanol, 4-bromo,para-bromobenzyl alcohol,4-bromobenzylalcohol,p-bromo-benzyl alcohol,ccris 5119,4-bromophenyl-methanol,benzyl alcohol, p-bromo PubChem CID: 70119 IUPAC Name: (4-bromophenyl)methanol SMILES: C1=CC(=CC=C1CO)Br

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Specifications

PubChem CID	70119
CAS	873-75-6
Molecular Weight (g/mol)	187.04
MDL Number	MFCD00004650
SMILES	C1=CC(=CC=C1CO)Br
Synonym	4-bromobenzyl alcohol,4-bromophenyl methanol,p-bromobenzyl alcohol,benzenemethanol, 4-bromo,para-bromobenzyl alcohol,4-bromobenzylalcohol,p-bromo-benzyl alcohol,ccris 5119,4-bromophenyl-methanol,benzyl alcohol, p-bromo
IUPAC Name	(4-bromophenyl)methanol
InChI Key	VEDDBHYQWFOITD-UHFFFAOYSA-N
Molecular Formula	C₇H₇BrO

4,328

N-[4-(2-Furyl)benzyl]-N-methylamine, ≥95%, Thermo Scientific™

CAS: 859850-67-2 Molecular Formula: C12H13NO Molecular Weight (g/mol): 187.24 MDL Number: MFCD08060507 InChI Key: QJHXIMBULPYCDO-UHFFFAOYSA-N Synonym: n-4-2-furyl benzyl-n-methylamine,4-furan-2-yl phenyl methyl methyl amine,benzenemethanamine,4-2-furanyl-n-methyl,1-4-furan-2-yl phenyl-n-methylmethanamine,4-2-furyl phenyl methyl methylamine PubChem CID: 7537512 IUPAC Name: {[4-(furan-2-yl)phenyl]methyl}(methyl)amine SMILES: CNCC1=CC=C(C=C1)C1=CC=CO1

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Specifications

PubChem CID	7537512
CAS	859850-67-2
Molecular Weight (g/mol)	187.24
MDL Number	MFCD08060507
SMILES	CNCC1=CC=C(C=C1)C1=CC=CO1
Synonym	n-4-2-furyl benzyl-n-methylamine,4-furan-2-yl phenyl methyl methyl amine,benzenemethanamine,4-2-furanyl-n-methyl,1-4-furan-2-yl phenyl-n-methylmethanamine,4-2-furyl phenyl methyl methylamine
IUPAC Name	{[4-(furan-2-yl)phenyl]methyl}(methyl)amine
InChI Key	QJHXIMBULPYCDO-UHFFFAOYSA-N
Molecular Formula	C12H13NO

4,329

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

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Specifications

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

4,330

2,4-Dinitroaniline, 99%

CAS: 97-02-9 Molecular Formula: C6H5N3O4 Molecular Weight (g/mol): 183.12 MDL Number: MFCD00007151 InChI Key: LXQOQPGNCGEELI-UHFFFAOYSA-N Synonym: benzenamine, 2,4-dinitro,1-amino-2,4-dinitrobenzene,2,4-dinitroanilin,2,4-dinitrobenzenamine,2,4-dinitroanilina,2,4-dinitraniline,2,4-dinitrophenylamine,aniline, 2,4-dinitro,2,4-dinitroaminobenzene,2,4-nitroaniline PubChem CID: 7321 ChEBI: CHEBI:34242 IUPAC Name: 2,4-dinitroaniline SMILES: NC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O

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Specifications

PubChem CID	7321
CAS	97-02-9
Molecular Weight (g/mol)	183.12
ChEBI	CHEBI:34242
MDL Number	MFCD00007151
SMILES	NC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O
Synonym	benzenamine, 2,4-dinitro,1-amino-2,4-dinitrobenzene,2,4-dinitroanilin,2,4-dinitrobenzenamine,2,4-dinitroanilina,2,4-dinitraniline,2,4-dinitrophenylamine,aniline, 2,4-dinitro,2,4-dinitroaminobenzene,2,4-nitroaniline
IUPAC Name	2,4-dinitroaniline
InChI Key	LXQOQPGNCGEELI-UHFFFAOYSA-N
Molecular Formula	C6H5N3O4

4,331

Phenylurea, 97%

CAS: 64-10-8 Molecular Formula: C₇H₈N₂O Molecular Weight (g/mol): 136.15 MDL Number: MFCD00007944 InChI Key: LUBJCRLGQSPQNN-UHFFFAOYSA-N Synonym: 1-phenylurea,n-phenylurea,urea, phenyl,phenylcarbamide,monophenylurea,stabilizer vh,stabilisator vh,phenyl-urea,urea, n-phenyl,phenyl urea PubChem CID: 6145 IUPAC Name: phenylurea SMILES: C1=CC=C(C=C1)NC(=O)N

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Specifications

PubChem CID	6145
CAS	64-10-8
Molecular Weight (g/mol)	136.15
MDL Number	MFCD00007944
SMILES	C1=CC=C(C=C1)NC(=O)N
Synonym	1-phenylurea,n-phenylurea,urea, phenyl,phenylcarbamide,monophenylurea,stabilizer vh,stabilisator vh,phenyl-urea,urea, n-phenyl,phenyl urea
IUPAC Name	phenylurea
InChI Key	LUBJCRLGQSPQNN-UHFFFAOYSA-N
Molecular Formula	C₇H₈N₂O

4,332

Nitroterephthalic acid, 99+%

CAS: 610-29-7 Molecular Formula: C₈H₅NO₆ Molecular Weight (g/mol): 211.13 MDL Number: MFCD00007141 InChI Key: QUMITRDILMWWBC-UHFFFAOYSA-N Synonym: nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u PubChem CID: 69122 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O

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Specifications

PubChem CID	69122
CAS	610-29-7
Molecular Weight (g/mol)	211.13
MDL Number	MFCD00007141
SMILES	C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O
Synonym	nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u
InChI Key	QUMITRDILMWWBC-UHFFFAOYSA-N
Molecular Formula	C₈H₅NO₆

4,333

2-Nitrobenzyl alcohol, 97%

CAS: 612-25-9 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007186 InChI Key: BWRBVBFLFQKBPT-UHFFFAOYSA-N Synonym: 2-nitrobenzyl alcohol,2-nitrophenyl methanol,o-nitrobenzyl alcohol,benzyl alcohol, o-nitro,benzenemethanol, 2-nitro,2-nitrobenzenemethanol,o-hydroxymethylnitrobenzene,ccris 7967,benzenemethanol, nitro,2-nitrophenyl methan-1-ol PubChem CID: 11923 IUPAC Name: (2-nitrophenyl)methanol SMILES: OCC1=CC=CC=C1[N+]([O-])=O

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Specifications

PubChem CID	11923
CAS	612-25-9
Molecular Weight (g/mol)	153.14
MDL Number	MFCD00007186
SMILES	OCC1=CC=CC=C1[N+]([O-])=O
Synonym	2-nitrobenzyl alcohol,2-nitrophenyl methanol,o-nitrobenzyl alcohol,benzyl alcohol, o-nitro,benzenemethanol, 2-nitro,2-nitrobenzenemethanol,o-hydroxymethylnitrobenzene,ccris 7967,benzenemethanol, nitro,2-nitrophenyl methan-1-ol
IUPAC Name	(2-nitrophenyl)methanol
InChI Key	BWRBVBFLFQKBPT-UHFFFAOYSA-N
Molecular Formula	C7H7NO3

4,334

2-Chlorobenzoyl chloride, 98%

CAS: 609-65-4 Molecular Formula: C7H4Cl2O Molecular Weight (g/mol): 175.01 MDL Number: MFCD00000660 InChI Key: ONIKNECPXCLUHT-UHFFFAOYSA-N Synonym: benzoyl chloride, 2-chloro,o-chlorobenzoyl chloride,chlorobenzoyl chloride,benzoyl chloride, o-chloro,ococ,2-chloro-benzoyl chloride,unii-jr29a4n74x,o-chlorobenzoylchloride,2-chlorobenzoylchloride,2-chlorobenzoic acid chloride PubChem CID: 69110 ChEBI: CHEBI:60719 IUPAC Name: 2-chlorobenzoyl chloride SMILES: ClC(=O)C1=CC=CC=C1Cl

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Specifications

PubChem CID	69110
CAS	609-65-4
Molecular Weight (g/mol)	175.01
ChEBI	CHEBI:60719
MDL Number	MFCD00000660
SMILES	ClC(=O)C1=CC=CC=C1Cl
Synonym	benzoyl chloride, 2-chloro,o-chlorobenzoyl chloride,chlorobenzoyl chloride,benzoyl chloride, o-chloro,ococ,2-chloro-benzoyl chloride,unii-jr29a4n74x,o-chlorobenzoylchloride,2-chlorobenzoylchloride,2-chlorobenzoic acid chloride
IUPAC Name	2-chlorobenzoyl chloride
InChI Key	ONIKNECPXCLUHT-UHFFFAOYSA-N
Molecular Formula	C7H4Cl2O

4,335

2,6-Dimethoxybenzonitrile, 97%, Thermo Scientific™

CAS: 16932-49-3 Molecular Formula: C₉H₉NO₂ Molecular Weight (g/mol): 163.18 MDL Number: MFCD00001788 InChI Key: XHAHKSSLDJIEDH-UHFFFAOYSA-N Synonym: benzonitrile, 2,6-dimethoxy,2,6-dimethoxy-benzonitrile,2,6-dimethoxybenzenecarbonitrile,pubchem4772,2.6-dimethoxybenzonitrile,benzonitrile,2,6-dimethoxy,2-10-00-00260 beilstein handbook reference,2,6-dimethoxybenzonitrile PubChem CID: 85648 IUPAC Name: 2,6-dimethoxybenzonitrile SMILES: COC1=C(C(=CC=C1)OC)C#N

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Specifications

PubChem CID	85648
CAS	16932-49-3
Molecular Weight (g/mol)	163.18
MDL Number	MFCD00001788
SMILES	COC1=C(C(=CC=C1)OC)C#N
Synonym	benzonitrile, 2,6-dimethoxy,2,6-dimethoxy-benzonitrile,2,6-dimethoxybenzenecarbonitrile,pubchem4772,2.6-dimethoxybenzonitrile,benzonitrile,2,6-dimethoxy,2-10-00-00260 beilstein handbook reference,2,6-dimethoxybenzonitrile
IUPAC Name	2,6-dimethoxybenzonitrile
InChI Key	XHAHKSSLDJIEDH-UHFFFAOYSA-N
Molecular Formula	C₉H₉NO₂

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