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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3,781 – 3,795 of 57,011 results

3,781

4-Bromo-3-chlorobenzoic acid, 97%

CAS: 25118-59-6 Molecular Formula: C7H4BrClO2 Molecular Weight (g/mol): 235.46 MDL Number: MFCD08276864 InChI Key: PSKJIHDVFDVNBU-UHFFFAOYSA-N Synonym: benzoic acid, 4-bromo-3-chloro,acmc-1cbza,intermediates-zcf02677,ksc201k8d,3-chloro-4-bromobenzoic acid,4-bromo-3-chloro-benzoic acid,3-chloro-4-bromor-benzoic acid,benzoicacid, 4-bromo-3-chloro,4-bromanyl-3-chloranyl-benzoic acid,4-bromo-3-chlorobenzoic acid PubChem CID: 12594302 IUPAC Name: 4-bromo-3-chlorobenzoic acid SMILES: OC(=O)C1=CC(Cl)=C(Br)C=C1

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Specifications

PubChem CID	12594302
CAS	25118-59-6
Molecular Weight (g/mol)	235.46
MDL Number	MFCD08276864
SMILES	OC(=O)C1=CC(Cl)=C(Br)C=C1
Synonym	benzoic acid, 4-bromo-3-chloro,acmc-1cbza,intermediates-zcf02677,ksc201k8d,3-chloro-4-bromobenzoic acid,4-bromo-3-chloro-benzoic acid,3-chloro-4-bromor-benzoic acid,benzoicacid, 4-bromo-3-chloro,4-bromanyl-3-chloranyl-benzoic acid,4-bromo-3-chlorobenzoic acid
IUPAC Name	4-bromo-3-chlorobenzoic acid
InChI Key	PSKJIHDVFDVNBU-UHFFFAOYSA-N
Molecular Formula	C7H4BrClO2

3,782

2-Fluoro-5-(trifluoromethyl)phenyl isocyanate, 97%

CAS: 69922-27-6 Molecular Formula: C8H3F4NO Molecular Weight (g/mol): 205.11 MDL Number: MFCD00673069 InChI Key: NAIKHCBDZGSGHH-UHFFFAOYSA-N PubChem CID: 2733380 IUPAC Name: 1-fluoro-2-isocyanato-4-(trifluoromethyl)benzene SMILES: FC1=CC=C(C=C1N=C=O)C(F)(F)F

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Specifications

PubChem CID	2733380
CAS	69922-27-6
Molecular Weight (g/mol)	205.11
MDL Number	MFCD00673069
SMILES	FC1=CC=C(C=C1N=C=O)C(F)(F)F
IUPAC Name	1-fluoro-2-isocyanato-4-(trifluoromethyl)benzene
InChI Key	NAIKHCBDZGSGHH-UHFFFAOYSA-N
Molecular Formula	C8H3F4NO

3,783

3-Methoxybenzyl chloride, 98+%

CAS: 824-98-6 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.61 MDL Number: MFCD00000907 InChI Key: VGISFWWEOGVMED-UHFFFAOYSA-N Synonym: 3-methoxybenzyl chloride,1-chloromethyl-3-methoxybenzene,m-methoxybenzyl chloride,m-chloromethyl anisole,benzene, 1-chloromethyl-3-methoxy,anisole, m-chloromethyl,3-methoxybenzylchloride,3-chloromethyl anisole,3-methoxy benzyl chloride,benzyl chloride,3-methoxy PubChem CID: 69994 IUPAC Name: 1-(chloromethyl)-3-methoxybenzene SMILES: COC1=CC=CC(CCl)=C1

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Specifications

PubChem CID	69994
CAS	824-98-6
Molecular Weight (g/mol)	156.61
MDL Number	MFCD00000907
SMILES	COC1=CC=CC(CCl)=C1
Synonym	3-methoxybenzyl chloride,1-chloromethyl-3-methoxybenzene,m-methoxybenzyl chloride,m-chloromethyl anisole,benzene, 1-chloromethyl-3-methoxy,anisole, m-chloromethyl,3-methoxybenzylchloride,3-chloromethyl anisole,3-methoxy benzyl chloride,benzyl chloride,3-methoxy
IUPAC Name	1-(chloromethyl)-3-methoxybenzene
InChI Key	VGISFWWEOGVMED-UHFFFAOYSA-N
Molecular Formula	C8H9ClO

3,784

3,5-Bis(trifluoromethyl)benzenesulfonyl chloride, 97%

CAS: 39234-86-1 Molecular Formula: C8H3ClF6O2S Molecular Weight (g/mol): 312.61 MDL Number: MFCD00014725 InChI Key: BTRCVKADYDVSLI-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl benzenesulfonyl chloride,3,5-bis trifluoromethyl benzene-1-sulfonyl chloride,3,5-bis trifluoromethyl benzenesulphonyl chloride,3,5-di trifluoromethyl benzene-1-sulfonyl chloride,3,5-ditrifluoromethylbenzenesulfonyl chloride,benzenesulfonyl chloride, 3,5-bis trifluoromethyl,3,5-bis trifluoromethyl phenylsulfonyl chloride,3,5-bis-trifluoromethyl-benzenesulfonyl chloride,3,5-di trifluoromethyl benzene sulfonyl chloride,pubchem2724 PubChem CID: 520945 IUPAC Name: 3,5-bis(trifluoromethyl)benzenesulfonyl chloride SMILES: C1=C(C=C(C=C1C(F)(F)F)S(=O)(=O)Cl)C(F)(F)F

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Specifications

PubChem CID	520945
CAS	39234-86-1
Molecular Weight (g/mol)	312.61
MDL Number	MFCD00014725
SMILES	C1=C(C=C(C=C1C(F)(F)F)S(=O)(=O)Cl)C(F)(F)F
Synonym	3,5-bis trifluoromethyl benzenesulfonyl chloride,3,5-bis trifluoromethyl benzene-1-sulfonyl chloride,3,5-bis trifluoromethyl benzenesulphonyl chloride,3,5-di trifluoromethyl benzene-1-sulfonyl chloride,3,5-ditrifluoromethylbenzenesulfonyl chloride,benzenesulfonyl chloride, 3,5-bis trifluoromethyl,3,5-bis trifluoromethyl phenylsulfonyl chloride,3,5-bis-trifluoromethyl-benzenesulfonyl chloride,3,5-di trifluoromethyl benzene sulfonyl chloride,pubchem2724
IUPAC Name	3,5-bis(trifluoromethyl)benzenesulfonyl chloride
InChI Key	BTRCVKADYDVSLI-UHFFFAOYSA-N
Molecular Formula	C8H3ClF6O2S

3,785

3-Bromo-4-methoxybenzoic acid, 98+%

CAS: 99-58-1 Molecular Formula: C8H6BrO3 Molecular Weight (g/mol): 230.04 MDL Number: MFCD00020295 InChI Key: BBPZABXVRBFWGD-UHFFFAOYSA-M Synonym: 3-bromo-p-anisic acid,benzoic acid, 3-bromo-4-methoxy,3-bromo-4-methoxybenzoicacid,akos bbb/210,rarechem al bo 0751,timtec-bb sbb009955,4-methoxy-3-bromo benzoic acid,3-bromanissaure,pubchem2675,2-bromo-4-carboxyanisole PubChem CID: 66836 IUPAC Name: 3-bromo-4-methoxybenzoic acid SMILES: COC1=CC=C(C=C1Br)C([O-])=O

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Specifications

PubChem CID	66836
CAS	99-58-1
Molecular Weight (g/mol)	230.04
MDL Number	MFCD00020295
SMILES	COC1=CC=C(C=C1Br)C([O-])=O
Synonym	3-bromo-p-anisic acid,benzoic acid, 3-bromo-4-methoxy,3-bromo-4-methoxybenzoicacid,akos bbb/210,rarechem al bo 0751,timtec-bb sbb009955,4-methoxy-3-bromo benzoic acid,3-bromanissaure,pubchem2675,2-bromo-4-carboxyanisole
IUPAC Name	3-bromo-4-methoxybenzoic acid
InChI Key	BBPZABXVRBFWGD-UHFFFAOYSA-M
Molecular Formula	C8H6BrO3

3,786

1-Bromo-4-tert-butylbenzene, 97%

CAS: 3972-65-4 Molecular Formula: C₁₀H₁₃Br Molecular Weight (g/mol): 213.12 MDL Number: MFCD00000108 InChI Key: XHCAGOVGSDHHNP-UHFFFAOYSA-N Synonym: 4-tert-butylbromobenzene,1-bromo-4-tert-butyl benzene,butylbromobenzene,p-bromo-tert-butylbenzene,1-bromo-4-t-butylbenzene,1-bromo-4-1,1-dimethylethyl benzene,4-tert-butyl-1-bromobenzene,p-bromo-t-butylbenzene,1-bromo-p-t-butylbenzene,4-bromo-tert-butylbenzene PubChem CID: 77595 IUPAC Name: 1-bromo-4-tert-butylbenzene SMILES: CC(C)(C)C1=CC=C(C=C1)Br

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Specifications

PubChem CID	77595
CAS	3972-65-4
Molecular Weight (g/mol)	213.12
MDL Number	MFCD00000108
SMILES	CC(C)(C)C1=CC=C(C=C1)Br
Synonym	4-tert-butylbromobenzene,1-bromo-4-tert-butyl benzene,butylbromobenzene,p-bromo-tert-butylbenzene,1-bromo-4-t-butylbenzene,1-bromo-4-1,1-dimethylethyl benzene,4-tert-butyl-1-bromobenzene,p-bromo-t-butylbenzene,1-bromo-p-t-butylbenzene,4-bromo-tert-butylbenzene
IUPAC Name	1-bromo-4-tert-butylbenzene
InChI Key	XHCAGOVGSDHHNP-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₃Br

3,787

2,5-Dichlorobenzyl alcohol, 99%

CAS: 34145-05-6 Molecular Formula: C7H6Cl2O Molecular Weight (g/mol): 177.024 MDL Number: MFCD00004607 InChI Key: LCEIGNVIDJNUGF-UHFFFAOYSA-N PubChem CID: 118604 IUPAC Name: (2,5-dichlorophenyl)methanol SMILES: C1=CC(=C(C=C1Cl)CO)Cl

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Specifications

PubChem CID	118604
CAS	34145-05-6
Molecular Weight (g/mol)	177.024
MDL Number	MFCD00004607
SMILES	C1=CC(=C(C=C1Cl)CO)Cl
IUPAC Name	(2,5-dichlorophenyl)methanol
InChI Key	LCEIGNVIDJNUGF-UHFFFAOYSA-N
Molecular Formula	C7H6Cl2O

3,788

Methyl 2-amino-5-(trifluoromethyl)benzoate, 98%

CAS: 117324-58-0 Molecular Formula: C9H8F3NO2 Molecular Weight (g/mol): 219.163 MDL Number: MFCD08234902 InChI Key: QGFUDNJZHZNPCS-UHFFFAOYSA-N PubChem CID: 14233808 IUPAC Name: methyl 2-amino-5-(trifluoromethyl)benzoate SMILES: COC(=O)C1=C(C=CC(=C1)C(F)(F)F)N

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Specifications

PubChem CID	14233808
CAS	117324-58-0
Molecular Weight (g/mol)	219.163
MDL Number	MFCD08234902
SMILES	COC(=O)C1=C(C=CC(=C1)C(F)(F)F)N
IUPAC Name	methyl 2-amino-5-(trifluoromethyl)benzoate
InChI Key	QGFUDNJZHZNPCS-UHFFFAOYSA-N
Molecular Formula	C9H8F3NO2

3,789

3-Hydroxy-4-(methoxycarbonyl)phenylboronic acid pinacol ester, 97%

CAS: 1073371-99-9 Molecular Formula: C14H19BO5 Molecular Weight (g/mol): 278.11 MDL Number: MFCD08458200 InChI Key: SRYGMLVCVMGUTB-UHFFFAOYSA-N Synonym: methyl 2-hydroxy-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzoate,3-hydroxy-4-methoxycarbonylphenylboronic acid, pinacol ester,methyl 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl salicylate,methyl 2-hydroxy-4-tetramethyl-1,3,2-dioxaborolan-2-yl benzoate PubChem CID: 17998928 IUPAC Name: methyl 2-hydroxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate SMILES: COC(=O)C1=C(O)C=C(C=C1)B1OC(C)(C)C(C)(C)O1

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Specifications

PubChem CID	17998928
CAS	1073371-99-9
Molecular Weight (g/mol)	278.11
MDL Number	MFCD08458200
SMILES	COC(=O)C1=C(O)C=C(C=C1)B1OC(C)(C)C(C)(C)O1
Synonym	methyl 2-hydroxy-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzoate,3-hydroxy-4-methoxycarbonylphenylboronic acid, pinacol ester,methyl 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl salicylate,methyl 2-hydroxy-4-tetramethyl-1,3,2-dioxaborolan-2-yl benzoate
IUPAC Name	methyl 2-hydroxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI Key	SRYGMLVCVMGUTB-UHFFFAOYSA-N
Molecular Formula	C14H19BO5

3,790

2-Chloro-4-nitrobenzoic acid, 98%

CAS: 99-60-5 Molecular Formula: C₇H₄ClNO₄ Molecular Weight (g/mol): 201.57 MDL Number: MFCD00007209 InChI Key: QAYNSPOKTRVZRC-UHFFFAOYSA-N Synonym: 2-chloro-4-nitrobenzoic acid,benzoic acid, 2-chloro-4-nitro,kyselina 2-chloro-4-nitrobenzoova,kyselina 2-chloro-4-nitrobenzoova czech,2-chloro-4-nitrobenzoic,2-chloro-4-nitro-benzoic acid,2-chloro-4-nitro benzoic acid,2-chloro-4-nitrobenzoicacid,pubchem20257,acmc-209sde PubChem CID: 7448 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)O

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Specifications

PubChem CID	7448
CAS	99-60-5
Molecular Weight (g/mol)	201.57
MDL Number	MFCD00007209
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)O
Synonym	2-chloro-4-nitrobenzoic acid,benzoic acid, 2-chloro-4-nitro,kyselina 2-chloro-4-nitrobenzoova,kyselina 2-chloro-4-nitrobenzoova czech,2-chloro-4-nitrobenzoic,2-chloro-4-nitro-benzoic acid,2-chloro-4-nitro benzoic acid,2-chloro-4-nitrobenzoicacid,pubchem20257,acmc-209sde
InChI Key	QAYNSPOKTRVZRC-UHFFFAOYSA-N
Molecular Formula	C₇H₄ClNO₄

3,791

alpha-Cyano-o-tolunitrile, 80%, Thermo Scientific™

CAS: 3759-28-2 Molecular Formula: C9H6N2 Molecular Weight (g/mol): 142.16 MDL Number: MFCD00001895 InChI Key: GKHSEDFDYXZGCG-UHFFFAOYSA-N Synonym: 2-cyanomethyl benzonitrile,homophthalonitrile,2-cyanobenzyl cyanide,2-cyanophenylacetonitrile,alpha-cyano-o-tolunitrile,o-cyanobenzyl cyanide,benzeneacetonitrile, 2-cyano,2-cyanobenzeneacetonitrile,o-cyanophenyl acetonitrile,o-tolunitrile, alpha-cyano PubChem CID: 77368 IUPAC Name: 2-(cyanomethyl)benzonitrile SMILES: N#CCC1=CC=CC=C1C#N

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Specifications

PubChem CID	77368
CAS	3759-28-2
Molecular Weight (g/mol)	142.16
MDL Number	MFCD00001895
SMILES	N#CCC1=CC=CC=C1C#N
Synonym	2-cyanomethyl benzonitrile,homophthalonitrile,2-cyanobenzyl cyanide,2-cyanophenylacetonitrile,alpha-cyano-o-tolunitrile,o-cyanobenzyl cyanide,benzeneacetonitrile, 2-cyano,2-cyanobenzeneacetonitrile,o-cyanophenyl acetonitrile,o-tolunitrile, alpha-cyano
IUPAC Name	2-(cyanomethyl)benzonitrile
InChI Key	GKHSEDFDYXZGCG-UHFFFAOYSA-N
Molecular Formula	C9H6N2

3,792

2-Bromo-4-fluoroaniline, 98%

CAS: 1003-98-1 Molecular Formula: C6H5BrFN Molecular Weight (g/mol): 190.015 MDL Number: MFCD00042462 InChI Key: YLMFXCIATJJKQL-UHFFFAOYSA-N Synonym: 2-bromo-4-fluorobenzenamine,4-fluoro-2-bromoaniline,2-bromo-4-fluoro-aniline,benzenamine, 2-bromo-4-fluoro,2-bromo-4-fluoro-phenylamine,2-bromo-4-fluoro aniline,2-bromo-4-fluorophenylamine,2-brom-4-fluoranilin,bromofluoroaniline1,pubchem2918 PubChem CID: 242873 IUPAC Name: 2-bromo-4-fluoroaniline SMILES: C1=CC(=C(C=C1F)Br)N

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Specifications

PubChem CID	242873
CAS	1003-98-1
Molecular Weight (g/mol)	190.015
MDL Number	MFCD00042462
SMILES	C1=CC(=C(C=C1F)Br)N
Synonym	2-bromo-4-fluorobenzenamine,4-fluoro-2-bromoaniline,2-bromo-4-fluoro-aniline,benzenamine, 2-bromo-4-fluoro,2-bromo-4-fluoro-phenylamine,2-bromo-4-fluoro aniline,2-bromo-4-fluorophenylamine,2-brom-4-fluoranilin,bromofluoroaniline1,pubchem2918
IUPAC Name	2-bromo-4-fluoroaniline
InChI Key	YLMFXCIATJJKQL-UHFFFAOYSA-N
Molecular Formula	C6H5BrFN

3,793

3,5-Di(tert-butyl)-4-hydroxybenzonitrile, 97%, Thermo Scientific™

CAS: 1988-88-1 Molecular Formula: C15H21NO Molecular Weight (g/mol): 231.34 MDL Number: MFCD00156137 InChI Key: AKXIIOLURNATOC-UHFFFAOYSA-N Synonym: 3,5-di-tert-butyl-4-hydroxybenzonitrile,3,5-di tert-butyl-4-hydroxybenzonitrile,benzonitrile, 3,5-bis 1,1-dimethylethyl-4-hydroxy,benzonitrile, 3,5-di-tert-butyl-4-hydroxy,4-cyano-2,6-di-tert-butylphenol,3,5-bis tert-butyl-4-hydroxybenzenecarbonitrile,acmc-20a6ry,2,6-bis tert-butyl-4-cyanophenol,3,5-di-t-butyl-4-hydroxybenzonitrile,4-hydroxy-3,5-di-t-butylbenzonitrile PubChem CID: 137274 SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C#N

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Specifications

PubChem CID	137274
CAS	1988-88-1
Molecular Weight (g/mol)	231.34
MDL Number	MFCD00156137
SMILES	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C#N
Synonym	3,5-di-tert-butyl-4-hydroxybenzonitrile,3,5-di tert-butyl-4-hydroxybenzonitrile,benzonitrile, 3,5-bis 1,1-dimethylethyl-4-hydroxy,benzonitrile, 3,5-di-tert-butyl-4-hydroxy,4-cyano-2,6-di-tert-butylphenol,3,5-bis tert-butyl-4-hydroxybenzenecarbonitrile,acmc-20a6ry,2,6-bis tert-butyl-4-cyanophenol,3,5-di-t-butyl-4-hydroxybenzonitrile,4-hydroxy-3,5-di-t-butylbenzonitrile
InChI Key	AKXIIOLURNATOC-UHFFFAOYSA-N
Molecular Formula	C15H21NO

3,794

[2-(1,3-Dioxan-2-yl)ethyl]triphenylphosphonium bromide, 98+%

CAS: 69891-92-5 Molecular Formula: C24H26BrO2P Molecular Weight (g/mol): 457.35 MDL Number: MFCD00012000 InChI Key: XETDBHNHTOJWPZ-UHFFFAOYSA-M Synonym: 2-1,3-dioxan-2-yl ethyltriphenylphosphonium bromide,2-1,3-dioxan-2-yl ethyl triphenylphosphonium bromide,2-1,3-dioxan-2-yl ethyl triphenylphosphanium bromide,acmc-209obj,xqaupnaycikwct-uhfffaoysa-m,1,3-dioxan-2-ylethyltriphenylphosphinebromide,2-1,3-dioxan-2-yl ethyltriphenylphosphonium bromi,2-1,3-dioxan-2-yl ethyltriphenylphosphoniumbromide,2-1,3-dioxane-2-yl ethyltriphenylphosphonium bromide PubChem CID: 2724168 IUPAC Name: 2-(1,3-dioxan-2-yl)ethyl-triphenylphosphanium;bromide SMILES: [Br-].C(C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C1OCCCO1

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Specifications

PubChem CID	2724168
CAS	69891-92-5
Molecular Weight (g/mol)	457.35
MDL Number	MFCD00012000
SMILES	[Br-].C(C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C1OCCCO1
Synonym	2-1,3-dioxan-2-yl ethyltriphenylphosphonium bromide,2-1,3-dioxan-2-yl ethyl triphenylphosphonium bromide,2-1,3-dioxan-2-yl ethyl triphenylphosphanium bromide,acmc-209obj,xqaupnaycikwct-uhfffaoysa-m,1,3-dioxan-2-ylethyltriphenylphosphinebromide,2-1,3-dioxan-2-yl ethyltriphenylphosphonium bromi,2-1,3-dioxan-2-yl ethyltriphenylphosphoniumbromide,2-1,3-dioxane-2-yl ethyltriphenylphosphonium bromide
IUPAC Name	2-(1,3-dioxan-2-yl)ethyl-triphenylphosphanium;bromide
InChI Key	XETDBHNHTOJWPZ-UHFFFAOYSA-M
Molecular Formula	C24H26BrO2P

3,795

2-Aminobenzaldehyde, 97%

CAS: 529-23-7 Molecular Formula: C₇H₇NO Molecular Weight (g/mol): 121.14 MDL Number: MFCD00007709 InChI Key: FXWFZIRWWNPPOV-UHFFFAOYSA-N Synonym: o-aminobenzaldehyde,benzaldehyde, 2-amino,2-amino-benzaldehyde,aminobenzaldehyde,anthranilaldehyde,2-formylaniline,anthranil aldehyde,o-amino benzaldehyde,benzaldehyde, amino,pubchem15692 PubChem CID: 68255 IUPAC Name: 2-aminobenzaldehyde SMILES: C1=CC=C(C(=C1)C=O)N

Pricing & Availability
Specifications

PubChem CID	68255
CAS	529-23-7
Molecular Weight (g/mol)	121.14
MDL Number	MFCD00007709
SMILES	C1=CC=C(C(=C1)C=O)N
Synonym	o-aminobenzaldehyde,benzaldehyde, 2-amino,2-amino-benzaldehyde,aminobenzaldehyde,anthranilaldehyde,2-formylaniline,anthranil aldehyde,o-amino benzaldehyde,benzaldehyde, amino,pubchem15692
IUPAC Name	2-aminobenzaldehyde
InChI Key	FXWFZIRWWNPPOV-UHFFFAOYSA-N
Molecular Formula	C₇H₇NO

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