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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3,811 – 3,825 of 56,990 results

3,811

1-Bromo-3,5-dichlorobenzene, 98%, Thermo Scientific Chemicals

CAS: 19752-55-7 Molecular Formula: C₆H₃BrCl₂ Molecular Weight (g/mol): 225.9 MDL Number: MFCD00000584 InChI Key: DZHFFMWJXJBBRG-UHFFFAOYSA-N Synonym: 3,5-dichlorobromobenzene,benzene, 1-bromo-3,5-dichloro,1-bromo-3,5-dichloro-benzene,3,5-dichloro bromobenzene,3,5-dichloro-1-bromobenzene,attercop-chm at113311,maybridge1_000881,pubchem3612,acmc-209f1a PubChem CID: 29766 IUPAC Name: 1-bromo-3,5-dichlorobenzene SMILES: C1=C(C=C(C=C1Cl)Br)Cl

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Specifications

PubChem CID	29766
CAS	19752-55-7
Molecular Weight (g/mol)	225.9
MDL Number	MFCD00000584
SMILES	C1=C(C=C(C=C1Cl)Br)Cl
Synonym	3,5-dichlorobromobenzene,benzene, 1-bromo-3,5-dichloro,1-bromo-3,5-dichloro-benzene,3,5-dichloro bromobenzene,3,5-dichloro-1-bromobenzene,attercop-chm at113311,maybridge1_000881,pubchem3612,acmc-209f1a
IUPAC Name	1-bromo-3,5-dichlorobenzene
InChI Key	DZHFFMWJXJBBRG-UHFFFAOYSA-N
Molecular Formula	C₆H₃BrCl₂

3,812

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

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Specifications

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

3,813

1-Bromo-3-(trifluoromethoxy)benzene, 98+%, Thermo Scientific Chemicals

CAS: 2252-44-0 Molecular Formula: C7H4BrF3O Molecular Weight (g/mol): 241.007 MDL Number: MFCD00040943 InChI Key: WVUDHWBCPSXAFN-UHFFFAOYSA-N Synonym: 1-bromo-3-trifluoromethoxy benzene,3-trifluoromethoxy bromobenzene,3-bromo trifluoromethoxy benzene,m-bromo trifluoromethoxy benzene,3-bromo-1-trifluoromethoxy benzene,benzene, 1-bromo-3-trifluoromethoxy,3-bromo-alpha,alpha,alpha-trifluoroanisole,bromo-3-trifluoromethoxy benzene,buttpark 91\57-27,1-bromo-3-trifluoromethoxy-benzene PubChem CID: 519964 IUPAC Name: 1-bromo-3-(trifluoromethoxy)benzene SMILES: C1=CC(=CC(=C1)Br)OC(F)(F)F

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Specifications

PubChem CID	519964
CAS	2252-44-0
Molecular Weight (g/mol)	241.007
MDL Number	MFCD00040943
SMILES	C1=CC(=CC(=C1)Br)OC(F)(F)F
Synonym	1-bromo-3-trifluoromethoxy benzene,3-trifluoromethoxy bromobenzene,3-bromo trifluoromethoxy benzene,m-bromo trifluoromethoxy benzene,3-bromo-1-trifluoromethoxy benzene,benzene, 1-bromo-3-trifluoromethoxy,3-bromo-alpha,alpha,alpha-trifluoroanisole,bromo-3-trifluoromethoxy benzene,buttpark 91\57-27,1-bromo-3-trifluoromethoxy-benzene
IUPAC Name	1-bromo-3-(trifluoromethoxy)benzene
InChI Key	WVUDHWBCPSXAFN-UHFFFAOYSA-N
Molecular Formula	C7H4BrF3O

3,814

4,4'-Dibromooctafluorobiphenyl, 99%

CAS: 10386-84-2 Molecular Formula: C12Br2F8 Molecular Weight (g/mol): 455.93 MDL Number: MFCD00000310 InChI Key: YXLMNFVUNLCJJY-UHFFFAOYSA-N PubChem CID: 82600 IUPAC Name: 1-bromo-4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene SMILES: FC1=C(F)C(=C(F)C(F)=C1Br)C1=C(F)C(F)=C(Br)C(F)=C1F

Pricing & Availability
Specifications

PubChem CID	82600
CAS	10386-84-2
Molecular Weight (g/mol)	455.93
MDL Number	MFCD00000310
SMILES	FC1=C(F)C(=C(F)C(F)=C1Br)C1=C(F)C(F)=C(Br)C(F)=C1F
IUPAC Name	1-bromo-4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene
InChI Key	YXLMNFVUNLCJJY-UHFFFAOYSA-N
Molecular Formula	C12Br2F8

3,815

2-Bromo-1,3-dichlorobenzene, 97%

CAS: 19393-92-1 Molecular Formula: C6H3BrCl2 Molecular Weight (g/mol): 225.894 MDL Number: MFCD00000574 InChI Key: UWOIDOQAQPUVOH-UHFFFAOYSA-N Synonym: 1-bromo-2,6-dichlorobenzene,2,6-dichlorobromobenzene,1,3-dichloro-2-bromobenzene,benzene, 2-bromo-1,3-dichloro,2,6-dichloro-1-bromobenzene,benzene, 1-bromo-2,6-dichloro,pubchem3610,acmc-209exg,2,6-dichlorobromo benzene,2,6-dichlorophenyl bromide PubChem CID: 29568 IUPAC Name: 2-bromo-1,3-dichlorobenzene SMILES: C1=CC(=C(C(=C1)Cl)Br)Cl

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Specifications

PubChem CID	29568
CAS	19393-92-1
Molecular Weight (g/mol)	225.894
MDL Number	MFCD00000574
SMILES	C1=CC(=C(C(=C1)Cl)Br)Cl
Synonym	1-bromo-2,6-dichlorobenzene,2,6-dichlorobromobenzene,1,3-dichloro-2-bromobenzene,benzene, 2-bromo-1,3-dichloro,2,6-dichloro-1-bromobenzene,benzene, 1-bromo-2,6-dichloro,pubchem3610,acmc-209exg,2,6-dichlorobromo benzene,2,6-dichlorophenyl bromide
IUPAC Name	2-bromo-1,3-dichlorobenzene
InChI Key	UWOIDOQAQPUVOH-UHFFFAOYSA-N
Molecular Formula	C6H3BrCl2

3,816

3-Benzyloxybromobenzene, 96%

CAS: 53087-13-1 Molecular Formula: C₁₃H₁₁BrO Molecular Weight (g/mol): 263.13 InChI Key: HVWZMGZBJCJDOX-UHFFFAOYSA-N Synonym: 1-benzyloxy-3-bromobenzene,3-benzyloxybromobenzene,benzyl 3-bromophenyl ether,1-bromo-3-benzyloxybenzene,3-benzyloxy bromobenzene,3-bromophenyl benzyl ether,benzene, 1-bromo-3-phenylmethoxy,1-benzyloxy-3-bromo-benzene,pubchem3065 PubChem CID: 2756638 IUPAC Name: 1-bromo-3-phenylmethoxybenzene SMILES: C1=CC=C(C=C1)COC2=CC(=CC=C2)Br

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Specifications

PubChem CID	2756638
CAS	53087-13-1
Molecular Weight (g/mol)	263.13
SMILES	C1=CC=C(C=C1)COC2=CC(=CC=C2)Br
Synonym	1-benzyloxy-3-bromobenzene,3-benzyloxybromobenzene,benzyl 3-bromophenyl ether,1-bromo-3-benzyloxybenzene,3-benzyloxy bromobenzene,3-bromophenyl benzyl ether,benzene, 1-bromo-3-phenylmethoxy,1-benzyloxy-3-bromo-benzene,pubchem3065
IUPAC Name	1-bromo-3-phenylmethoxybenzene
InChI Key	HVWZMGZBJCJDOX-UHFFFAOYSA-N
Molecular Formula	C₁₃H₁₁BrO

3,817

4-Bromo-1-fluoro-2-nitrobenzene, 98%

CAS: 364-73-8 Molecular Formula: C6H3BrFNO2 Molecular Weight (g/mol): 220.00 MDL Number: MFCD00129165 InChI Key: UQEANKGXXSENNF-UHFFFAOYSA-N Synonym: 5-bromo-2-fluoronitrobenzene,1-bromo-4-fluoro-3-nitrobenzene,2-fluoro-5-bromonitrobenzene,4-bromo-1-fluoro-2-nitro-benzene,benzene, 4-bromo-1-fluoro-2-nitro,pubchem1046,5-bromo-fluoronitrobenzene,acmc-1cpc6,5-bromo-2-fluronitrobenzene,ksc226i7f PubChem CID: 2736328 IUPAC Name: 4-bromo-1-fluoro-2-nitrobenzene SMILES: [O-][N+](=O)C1=CC(Br)=CC=C1F

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Specifications

PubChem CID	2736328
CAS	364-73-8
Molecular Weight (g/mol)	220.00
MDL Number	MFCD00129165
SMILES	[O-][N+](=O)C1=CC(Br)=CC=C1F
Synonym	5-bromo-2-fluoronitrobenzene,1-bromo-4-fluoro-3-nitrobenzene,2-fluoro-5-bromonitrobenzene,4-bromo-1-fluoro-2-nitro-benzene,benzene, 4-bromo-1-fluoro-2-nitro,pubchem1046,5-bromo-fluoronitrobenzene,acmc-1cpc6,5-bromo-2-fluronitrobenzene,ksc226i7f
IUPAC Name	4-bromo-1-fluoro-2-nitrobenzene
InChI Key	UQEANKGXXSENNF-UHFFFAOYSA-N
Molecular Formula	C6H3BrFNO2

3,818

1-Bromo-4-tert-butoxybenzene, 98%, Thermo Scientific Chemicals

CAS: 60876-70-2 Molecular Formula: C10H13BrO Molecular Weight (g/mol): 229.117 MDL Number: MFCD00792676 InChI Key: QIWQHUCUWNGYDZ-UHFFFAOYSA-N Synonym: 1-bromo-4-tert-butoxy benzene,1-bromo-4-tert-butoxybenzene,4-tert-butoxybromobenzene,4-bromophenyl tert-butyl ether,1-bromo-4-tert-butoxy-benzene,benzene, 1-bromo-4-1,1-dimethylethoxy,tert-butyl-4-bromophenyl ether,1-bromo-4-2-methylpropan-2-yl oxy benzene,1-tert-butoxy-4-bromobenzene,bromobutoxybenzene PubChem CID: 2763959 IUPAC Name: 1-bromo-4-[(2-methylpropan-2-yl)oxy]benzene SMILES: CC(C)(C)OC1=CC=C(C=C1)Br

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Specifications

PubChem CID	2763959
CAS	60876-70-2
Molecular Weight (g/mol)	229.117
MDL Number	MFCD00792676
SMILES	CC(C)(C)OC1=CC=C(C=C1)Br
Synonym	1-bromo-4-tert-butoxy benzene,1-bromo-4-tert-butoxybenzene,4-tert-butoxybromobenzene,4-bromophenyl tert-butyl ether,1-bromo-4-tert-butoxy-benzene,benzene, 1-bromo-4-1,1-dimethylethoxy,tert-butyl-4-bromophenyl ether,1-bromo-4-2-methylpropan-2-yl oxy benzene,1-tert-butoxy-4-bromobenzene,bromobutoxybenzene
IUPAC Name	1-bromo-4-[(2-methylpropan-2-yl)oxy]benzene
InChI Key	QIWQHUCUWNGYDZ-UHFFFAOYSA-N
Molecular Formula	C10H13BrO

3,819

2-Bromobenzonitrile, 99%

CAS: 2042-37-7 Molecular Formula: C7H4BrN Molecular Weight (g/mol): 182.02 MDL Number: MFCD00001772 InChI Key: AFMPMSCZPVNPEM-UHFFFAOYSA-N Synonym: o-bromobenzonitrile,1-bromo-2-cyanobenzene,benzonitrile, 2-bromo,benzonitrile, o-bromo,2-bromobenzenecarbonitrile,o-bromocyanobenzene,2-cyanobromobenzene,2-bromo-benzonitrile,bromobenzonitrile 2-,bromobenzonitrile PubChem CID: 16272 IUPAC Name: 2-bromobenzonitrile SMILES: BrC1=CC=CC=C1C#N

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Specifications

PubChem CID	16272
CAS	2042-37-7
Molecular Weight (g/mol)	182.02
MDL Number	MFCD00001772
SMILES	BrC1=CC=CC=C1C#N
Synonym	o-bromobenzonitrile,1-bromo-2-cyanobenzene,benzonitrile, 2-bromo,benzonitrile, o-bromo,2-bromobenzenecarbonitrile,o-bromocyanobenzene,2-cyanobromobenzene,2-bromo-benzonitrile,bromobenzonitrile 2-,bromobenzonitrile
IUPAC Name	2-bromobenzonitrile
InChI Key	AFMPMSCZPVNPEM-UHFFFAOYSA-N
Molecular Formula	C7H4BrN

3,820

5-(3-Bromophenyl)isoxazole, ≥95%, Thermo Scientific™

CAS: 7064-33-7 Molecular Formula: C31H38N4O4S2 Molecular Weight (g/mol): 594.79 MDL Number: MFCD02183531 InChI Key: ALUPLTWVMIXEQH-DICXZTSXNA-N Synonym: 5-3-bromophenyl isoxazole,5-3-bromophenyl-1,2-oxazole,isoxazole,5-3-bromophenyl,zlchem 1341,acmc-209ofi PubChem CID: 2735607 IUPAC Name: 5-(3-bromophenyl)-1,2-oxazole SMILES: CCCN1C(=O)C(C#N)=C(C)C(\C=C2/SC(=S)N(CCC3=CC=C(OC)C(OC)=C3)C2=O)=C1N1CC(C)CC(C)C1

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Specifications

PubChem CID	2735607
CAS	7064-33-7
Molecular Weight (g/mol)	594.79
MDL Number	MFCD02183531
SMILES	CCCN1C(=O)C(C#N)=C(C)C(\C=C2/SC(=S)N(CCC3=CC=C(OC)C(OC)=C3)C2=O)=C1N1CC(C)CC(C)C1
Synonym	5-3-bromophenyl isoxazole,5-3-bromophenyl-1,2-oxazole,isoxazole,5-3-bromophenyl,zlchem 1341,acmc-209ofi
IUPAC Name	5-(3-bromophenyl)-1,2-oxazole
InChI Key	ALUPLTWVMIXEQH-DICXZTSXNA-N
Molecular Formula	C31H38N4O4S2

3,821

4-Bromoveratrole, 97%

CAS: 2859-78-1 Molecular Formula: C₈H₉BrO₂ Molecular Weight (g/mol): 217.06 MDL Number: MFCD00008381 InChI Key: KBTMGSMZIKLAHN-UHFFFAOYSA-N Synonym: 4-bromoveratrole,1-bromo-3,4-dimethoxybenzene,3,4-dimethoxybromobenzene,p-bromoveratrole,benzene, 4-bromo-1,2-dimethoxy,3,4-dimethoxyphenyl bromide,4-bromo-1,2-dimethoxy-benzene,1,2-dimethoxy-4-bromobenzene,4-bromocatechol dimethyl ether,4-bromoveratrol PubChem CID: 76114 IUPAC Name: 4-bromo-1,2-dimethoxybenzene SMILES: COC1=C(C=C(C=C1)Br)OC

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Specifications

PubChem CID	76114
CAS	2859-78-1
Molecular Weight (g/mol)	217.06
MDL Number	MFCD00008381
SMILES	COC1=C(C=C(C=C1)Br)OC
Synonym	4-bromoveratrole,1-bromo-3,4-dimethoxybenzene,3,4-dimethoxybromobenzene,p-bromoveratrole,benzene, 4-bromo-1,2-dimethoxy,3,4-dimethoxyphenyl bromide,4-bromo-1,2-dimethoxy-benzene,1,2-dimethoxy-4-bromobenzene,4-bromocatechol dimethyl ether,4-bromoveratrol
IUPAC Name	4-bromo-1,2-dimethoxybenzene
InChI Key	KBTMGSMZIKLAHN-UHFFFAOYSA-N
Molecular Formula	C₈H₉BrO₂

3,822

2-Bromo-4-fluoro-1-nitrobenzene, 98%

CAS: 700-36-7 Molecular Formula: C6H3BrFNO2 Molecular Weight (g/mol): 219.997 MDL Number: MFCD00792441 InChI Key: VGYVBEJDXIPSDL-UHFFFAOYSA-N Synonym: 2-bromo-4-fluoronitrobenzene,1-bromo-5-fluoro-2-nitrobenzene,3-bromo-1-fluoro-4-nitrobenzene,4-fluoro-2-bromonitrobenzene,benzene, 2-bromo-4-fluoro-1-nitro,4-fluoro-2-bromo nitrobenzene,2-bromo-4-fluoro-1-nitro-benzene,zlchem 479,pubchem4277,acmc-1bkfy PubChem CID: 2756993 IUPAC Name: 2-bromo-4-fluoro-1-nitrobenzene SMILES: C1=CC(=C(C=C1F)Br)[N+](=O)[O-]

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Specifications

PubChem CID	2756993
CAS	700-36-7
Molecular Weight (g/mol)	219.997
MDL Number	MFCD00792441
SMILES	C1=CC(=C(C=C1F)Br)[N+](=O)[O-]
Synonym	2-bromo-4-fluoronitrobenzene,1-bromo-5-fluoro-2-nitrobenzene,3-bromo-1-fluoro-4-nitrobenzene,4-fluoro-2-bromonitrobenzene,benzene, 2-bromo-4-fluoro-1-nitro,4-fluoro-2-bromo nitrobenzene,2-bromo-4-fluoro-1-nitro-benzene,zlchem 479,pubchem4277,acmc-1bkfy
IUPAC Name	2-bromo-4-fluoro-1-nitrobenzene
InChI Key	VGYVBEJDXIPSDL-UHFFFAOYSA-N
Molecular Formula	C6H3BrFNO2

3,823

2,3,4-Trimethoxybenzoic acid, 98+%

CAS: 573-11-5 Molecular Formula: C10H12O5 Molecular Weight (g/mol): 212.201 MDL Number: MFCD00002433 InChI Key: HZNQSWJZTWOTKM-UHFFFAOYSA-N Synonym: benzoic acid, 2,3,4-trimethoxy,2,3,4-trimethoxybenzoicacid,2,3,4-trimethoxy-benzoic acid,trimethoxybenzoic acid,benzoic acid, trimethoxy,acmc-209lx4,ksc265s3r,2,3,4-trimethoxy benzoic acid,2,3,4-trimethoxybenzoic acid PubChem CID: 11308 IUPAC Name: 2,3,4-trimethoxybenzoic acid SMILES: COC1=C(C(=C(C=C1)C(=O)O)OC)OC

Pricing & Availability
Specifications

PubChem CID	11308
CAS	573-11-5
Molecular Weight (g/mol)	212.201
MDL Number	MFCD00002433
SMILES	COC1=C(C(=C(C=C1)C(=O)O)OC)OC
Synonym	benzoic acid, 2,3,4-trimethoxy,2,3,4-trimethoxybenzoicacid,2,3,4-trimethoxy-benzoic acid,trimethoxybenzoic acid,benzoic acid, trimethoxy,acmc-209lx4,ksc265s3r,2,3,4-trimethoxy benzoic acid,2,3,4-trimethoxybenzoic acid
IUPAC Name	2,3,4-trimethoxybenzoic acid
InChI Key	HZNQSWJZTWOTKM-UHFFFAOYSA-N
Molecular Formula	C10H12O5

3,824

Ethyl vanillate, 97%

CAS: 617-05-0 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.20 MDL Number: MFCD00017269 InChI Key: MWAYRGBWOVHDDZ-UHFFFAOYSA-N Synonym: ethyl vanillate,vanillic acid, ethyl ester,4-hydroxy-3-methoxybenzoic acid ethyl ester,benzoic acid, 4-hydroxy-3-methoxy-, ethyl ester,unii-v38jk4z93o,3-methoxy-4-hydroxybenzoic acid, ethyl ester,m-anisic acid, 4-hydroxy-, ethyl ester,vanilicacidethylester,ethyl 4-hydroxy-3-methoxy-benzoate,ethylvanillate PubChem CID: 12038 IUPAC Name: ethyl 4-hydroxy-3-methoxybenzoate SMILES: CCOC(=O)C1=CC=C(O)C(OC)=C1

Pricing & Availability
Specifications

PubChem CID	12038
CAS	617-05-0
Molecular Weight (g/mol)	196.20
MDL Number	MFCD00017269
SMILES	CCOC(=O)C1=CC=C(O)C(OC)=C1
Synonym	ethyl vanillate,vanillic acid, ethyl ester,4-hydroxy-3-methoxybenzoic acid ethyl ester,benzoic acid, 4-hydroxy-3-methoxy-, ethyl ester,unii-v38jk4z93o,3-methoxy-4-hydroxybenzoic acid, ethyl ester,m-anisic acid, 4-hydroxy-, ethyl ester,vanilicacidethylester,ethyl 4-hydroxy-3-methoxy-benzoate,ethylvanillate
IUPAC Name	ethyl 4-hydroxy-3-methoxybenzoate
InChI Key	MWAYRGBWOVHDDZ-UHFFFAOYSA-N
Molecular Formula	C10H12O4

3,825

2-Hydroxy-3-methoxybenzoic acid, 98+%

CAS: 877-22-5 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00002445 InChI Key: AUZQQIPZESHNMG-UHFFFAOYSA-N Synonym: 3-methoxysalicylic acid,o-vanillic acid,acide orthovanillique,benzoic acid, 2-hydroxy-3-methoxy,m-anisic acid, 2-hydroxy,3-hydroxy-m-anisic acid,unii-3j31y0e2im,2-hydroxy-3-methoxy-benzoic acid,3-methoxysalicyclic acid,2-hydroxy-3-methoxy benzoic acid PubChem CID: 70140 ChEBI: CHEBI:68496 IUPAC Name: 2-hydroxy-3-methoxybenzoic acid SMILES: COC1=CC=CC(C(O)=O)=C1O

Pricing & Availability
Specifications

PubChem CID	70140
CAS	877-22-5
Molecular Weight (g/mol)	168.15
ChEBI	CHEBI:68496
MDL Number	MFCD00002445
SMILES	COC1=CC=CC(C(O)=O)=C1O
Synonym	3-methoxysalicylic acid,o-vanillic acid,acide orthovanillique,benzoic acid, 2-hydroxy-3-methoxy,m-anisic acid, 2-hydroxy,3-hydroxy-m-anisic acid,unii-3j31y0e2im,2-hydroxy-3-methoxy-benzoic acid,3-methoxysalicyclic acid,2-hydroxy-3-methoxy benzoic acid
IUPAC Name	2-hydroxy-3-methoxybenzoic acid
InChI Key	AUZQQIPZESHNMG-UHFFFAOYSA-N
Molecular Formula	C8H8O4

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