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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3,481 – 3,495 of 64,662 results

3,481

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4-bromo-2-fluorobenzylamine, 98%

CAS: 112734-22-2 Molecular Formula: C₇H₇BrFN Molecular Weight (g/mol): 204.04 MDL Number: MFCD00153076 InChI Key: RLTFBWCBGIZCDQ-UHFFFAOYSA-N Synonym: 4-bromo-2-fluorobenzylamine,4-bromo-2-fluorophenyl methanamine,2-fluoro-4-bromobenzylamine,2-fluoro-4-bromobenzyl amine,4-bromo-2-fluorobenzyl amine,benzenemethanamine, 4-bromo-2-fluoro,1-4-bromo-2-fluorophenyl methanamine,4-bromo-2-fluoro-phenyl methanamine,4-bromo-2-fluorophenyl methylamine,pubchem4709 PubChem CID: 3770848 IUPAC Name: (4-bromo-2-fluorophenyl)methanamine SMILES: C1=CC(=C(C=C1Br)F)CN

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Specifications

PubChem CID	3770848
CAS	112734-22-2
Molecular Weight (g/mol)	204.04
MDL Number	MFCD00153076
SMILES	C1=CC(=C(C=C1Br)F)CN
Synonym	4-bromo-2-fluorobenzylamine,4-bromo-2-fluorophenyl methanamine,2-fluoro-4-bromobenzylamine,2-fluoro-4-bromobenzyl amine,4-bromo-2-fluorobenzyl amine,benzenemethanamine, 4-bromo-2-fluoro,1-4-bromo-2-fluorophenyl methanamine,4-bromo-2-fluoro-phenyl methanamine,4-bromo-2-fluorophenyl methylamine,pubchem4709
IUPAC Name	(4-bromo-2-fluorophenyl)methanamine
InChI Key	RLTFBWCBGIZCDQ-UHFFFAOYSA-N
Molecular Formula	C₇H₇BrFN

3,482

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Phenylhydrazine, 97%

CAS: 100-63-0 Molecular Formula: C6H8N2 Molecular Weight (g/mol): 108.14 MDL Number: MFCD00007573 InChI Key: HKOOXMFOFWEVGF-UHFFFAOYSA-N Synonym: hydrazinobenzene,hydrazine, phenyl,phenylhydrazin,monophenylhydrazine,phenyl hydrazine,1-phenylhydrazine,hydrazine-benzene,fenilidrazina,fenylhydrazine,fenylhydrazine dutch PubChem CID: 7516 ChEBI: CHEBI:27924 IUPAC Name: phenylhydrazine SMILES: NNC1=CC=CC=C1

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Specifications

PubChem CID	7516
CAS	100-63-0
Molecular Weight (g/mol)	108.14
ChEBI	CHEBI:27924
MDL Number	MFCD00007573
SMILES	NNC1=CC=CC=C1
Synonym	hydrazinobenzene,hydrazine, phenyl,phenylhydrazin,monophenylhydrazine,phenyl hydrazine,1-phenylhydrazine,hydrazine-benzene,fenilidrazina,fenylhydrazine,fenylhydrazine dutch
IUPAC Name	phenylhydrazine
InChI Key	HKOOXMFOFWEVGF-UHFFFAOYSA-N
Molecular Formula	C6H8N2

3,483

4-(4-Methylperhydro-1,4-diazepin-1-yl)benzoic acid hydrochloride hydrate, 95%, Thermo Scientific™

CAS: 303134-03-4 Molecular Formula: C13H19ClN2O2 Molecular Weight (g/mol): 270.757 MDL Number: MFCD09064999 InChI Key: KJZVHMAKWMCIBB-UHFFFAOYSA-N Synonym: 4-4-methyl-1,4-diazepan-1-yl benzoic acid hydrochloride,4-4-methyl-1,4-diazepan-1-yl benzoic acid-hydrogen chloride 1/1 PubChem CID: 24229616 IUPAC Name: 4-(4-methyl-1,4-diazepan-1-yl)benzoic acid;hydrochloride SMILES: CN1CCCN(CC1)C2=CC=C(C=C2)C(=O)O.Cl

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Specifications

PubChem CID	24229616
CAS	303134-03-4
Molecular Weight (g/mol)	270.757
MDL Number	MFCD09064999
SMILES	CN1CCCN(CC1)C2=CC=C(C=C2)C(=O)O.Cl
Synonym	4-4-methyl-1,4-diazepan-1-yl benzoic acid hydrochloride,4-4-methyl-1,4-diazepan-1-yl benzoic acid-hydrogen chloride 1/1
IUPAC Name	4-(4-methyl-1,4-diazepan-1-yl)benzoic acid;hydrochloride
InChI Key	KJZVHMAKWMCIBB-UHFFFAOYSA-N
Molecular Formula	C13H19ClN2O2

3,484

4-Benzyl-2-morpholinecarboxylic acid hydrochloride, 97%, Thermo Scientific™

CAS: 135072-15-0 Molecular Formula: C12H16ClNO3 Molecular Weight (g/mol): 257.714 MDL Number: MFCD02682031 InChI Key: CEDXMALCJZSQHA-UHFFFAOYSA-N Synonym: 4-benzyl-2-morpholinecarboxylic acid hydrochloride,4-benzylmorpholine-2-carboxylic acid hydrochloride,4-benzyl-2-carboxymorpholine hydrochloride,4-benzyl-2-morpholinecarboxylicacidhydrochloride,4-benzyl-2-morpholinecarboxylic acid hcl,4-benzyl-morpholine-2-carboxylic acid hydrochloride,2-morpholinecarboxylic acid, 4-phenylmethyl-, hydrochloride,2-morpholinecarboxylicacid, 4-phenylmethyl-, hydrochloride 1:1,acmc-1by3p,ksc173i6l PubChem CID: 2776352 IUPAC Name: 4-benzylmorpholine-2-carboxylic acid;hydrochloride SMILES: C1COC(CN1CC2=CC=CC=C2)C(=O)O.Cl

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Specifications

PubChem CID	2776352
CAS	135072-15-0
Molecular Weight (g/mol)	257.714
MDL Number	MFCD02682031
SMILES	C1COC(CN1CC2=CC=CC=C2)C(=O)O.Cl
Synonym	4-benzyl-2-morpholinecarboxylic acid hydrochloride,4-benzylmorpholine-2-carboxylic acid hydrochloride,4-benzyl-2-carboxymorpholine hydrochloride,4-benzyl-2-morpholinecarboxylicacidhydrochloride,4-benzyl-2-morpholinecarboxylic acid hcl,4-benzyl-morpholine-2-carboxylic acid hydrochloride,2-morpholinecarboxylic acid, 4-phenylmethyl-, hydrochloride,2-morpholinecarboxylicacid, 4-phenylmethyl-, hydrochloride 1:1,acmc-1by3p,ksc173i6l
IUPAC Name	4-benzylmorpholine-2-carboxylic acid;hydrochloride
InChI Key	CEDXMALCJZSQHA-UHFFFAOYSA-N
Molecular Formula	C12H16ClNO3

3,485

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4-Cyclohexylbenzoic acid, 98%

CAS: 20029-52-1 Molecular Formula: C13H16O2 Molecular Weight (g/mol): 204.269 MDL Number: MFCD00039459 InChI Key: QCIWHVKGVVQHIY-UHFFFAOYSA-N Synonym: 4-cyclohexyl-benzoic acid,benzoic acid, 4-cyclohexyl,4cyclohexylbenzoic acid,4-cyclohexylbenzoicacid,p-cyclohexylbenzoic acid,acmc-1cmbu,cyclohexybenzoicacid,4-carboxyphenyl cyclohexane PubChem CID: 88337 IUPAC Name: 4-cyclohexylbenzoic acid SMILES: C1CCC(CC1)C2=CC=C(C=C2)C(=O)O

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Specifications

PubChem CID	88337
CAS	20029-52-1
Molecular Weight (g/mol)	204.269
MDL Number	MFCD00039459
SMILES	C1CCC(CC1)C2=CC=C(C=C2)C(=O)O
Synonym	4-cyclohexyl-benzoic acid,benzoic acid, 4-cyclohexyl,4cyclohexylbenzoic acid,4-cyclohexylbenzoicacid,p-cyclohexylbenzoic acid,acmc-1cmbu,cyclohexybenzoicacid,4-carboxyphenyl cyclohexane
IUPAC Name	4-cyclohexylbenzoic acid
InChI Key	QCIWHVKGVVQHIY-UHFFFAOYSA-N
Molecular Formula	C13H16O2

3,486

meso-1,2-Bis(4-bromophenyl)ethanediamine, 98+%, Thermo Scientific™

CAS: 117903-53-4 Molecular Formula: C₁₄H₁₄Br₂N₂ Molecular Weight (g/mol): 370.09 MDL Number: MFCD00989104 InChI Key: GANMXFWDVICUEK-UHFFFAOYSA-N Synonym: 1,2-bis 4-bromophenyl ethane-1,1-diamine,meso-1,2-bis 4-bromophenyl ethanediamine PubChem CID: 91872995 IUPAC Name: 1,2-bis(4-bromophenyl)ethane-1,1-diamine SMILES: C1=CC(=CC=C1CC(C2=CC=C(C=C2)Br)(N)N)Br

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Specifications

PubChem CID	91872995
CAS	117903-53-4
Molecular Weight (g/mol)	370.09
MDL Number	MFCD00989104
SMILES	C1=CC(=CC=C1CC(C2=CC=C(C=C2)Br)(N)N)Br
Synonym	1,2-bis 4-bromophenyl ethane-1,1-diamine,meso-1,2-bis 4-bromophenyl ethanediamine
IUPAC Name	1,2-bis(4-bromophenyl)ethane-1,1-diamine
InChI Key	GANMXFWDVICUEK-UHFFFAOYSA-N
Molecular Formula	C₁₄H₁₄Br₂N₂

3,487

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(3-Phenylpropyl)triphenylphosphonium bromide, 97+%

CAS: 7484-37-9 Molecular Formula: C27H26BrP Molecular Weight (g/mol): 461.38 MDL Number: MFCD00051886 InChI Key: RPUZOJFXAPSSJD-UHFFFAOYSA-M Synonym: 3-phenylpropyl triphenylphosphonium bromide,triphenyl 3-phenylpropyl phosphonium bromide,triphenyl 3-phenylpropyl phosphanium bromide,3-phenylpropyltriphenylphosphoniumbromide,phenylpropyl triphenylphosphonium bromide,3-phenylpropyltriphenylphosphonium bromide,triphenyl 3-phenylpropylphosphonium bromide,3-phenyl-propyl-triphenylphosphonium bromide,3-phenylpropyl triphenyl phosphonium bromide PubChem CID: 10928647 IUPAC Name: triphenyl(3-phenylpropyl)phosphanium;bromide SMILES: [Br-].C(CC1=CC=CC=C1)C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	10928647
CAS	7484-37-9
Molecular Weight (g/mol)	461.38
MDL Number	MFCD00051886
SMILES	[Br-].C(CC1=CC=CC=C1)C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	3-phenylpropyl triphenylphosphonium bromide,triphenyl 3-phenylpropyl phosphonium bromide,triphenyl 3-phenylpropyl phosphanium bromide,3-phenylpropyltriphenylphosphoniumbromide,phenylpropyl triphenylphosphonium bromide,3-phenylpropyltriphenylphosphonium bromide,triphenyl 3-phenylpropylphosphonium bromide,3-phenyl-propyl-triphenylphosphonium bromide,3-phenylpropyl triphenyl phosphonium bromide
IUPAC Name	triphenyl(3-phenylpropyl)phosphanium;bromide
InChI Key	RPUZOJFXAPSSJD-UHFFFAOYSA-M
Molecular Formula	C27H26BrP

3,488

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3,4-Dibromotoluene, 98+%

CAS: 60956-23-2 Molecular Formula: C7H6Br2 Molecular Weight (g/mol): 249.933 MDL Number: MFCD00079744 InChI Key: LDCPXNOCWDGYIU-UHFFFAOYSA-N Synonym: 3,4-dibromotoluene,benzene, 1,2-dibromo-4-methyl,3,4 dibromo toluene,benzene,1,2-dibromo-4-methyl,3,4-dibromtoluol,3,4 dibromotoluene,pubchem3930,acmc-1b64t,ksc493e6j PubChem CID: 34679 IUPAC Name: 1,2-dibromo-4-methylbenzene SMILES: CC1=CC(=C(C=C1)Br)Br

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Specifications

PubChem CID	34679
CAS	60956-23-2
Molecular Weight (g/mol)	249.933
MDL Number	MFCD00079744
SMILES	CC1=CC(=C(C=C1)Br)Br
Synonym	3,4-dibromotoluene,benzene, 1,2-dibromo-4-methyl,3,4 dibromo toluene,benzene,1,2-dibromo-4-methyl,3,4-dibromtoluol,3,4 dibromotoluene,pubchem3930,acmc-1b64t,ksc493e6j
IUPAC Name	1,2-dibromo-4-methylbenzene
InChI Key	LDCPXNOCWDGYIU-UHFFFAOYSA-N
Molecular Formula	C7H6Br2

3,489

[2-(Morpholinomethyl)phenyl]methanol, 97%, Thermo Scientific™

CAS: 91271-63-5 Molecular Formula: C12H17NO2 Molecular Weight (g/mol): 207.273 MDL Number: MFCD03211251 InChI Key: JOBIKMKNOFLXRQ-UHFFFAOYSA-N Synonym: 2-morpholinomethyl phenyl methanol,2-morpholin-4-ylmethyl phenyl methanol,2-morpholinomethyl-benzylalkohol,o-morpholin-1-yl methyl benzyl alcohol,benzenemethanol, 2-4-morpholinylmethyl,2-morpholin-4-yl methyl phenyl methanol,2-morpholin-4-ylmethyl phenyl methan-1-ol,2-morpholin-4-yl-methyl-phenyl-methanol hydrochloride,2-morpholin-4-ylmethyl phenyl methanol saltdata: hcl PubChem CID: 693121 IUPAC Name: [2-(morpholin-4-ylmethyl)phenyl]methanol SMILES: C1COCCN1CC2=CC=CC=C2CO

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Specifications

PubChem CID	693121
CAS	91271-63-5
Molecular Weight (g/mol)	207.273
MDL Number	MFCD03211251
SMILES	C1COCCN1CC2=CC=CC=C2CO
Synonym	2-morpholinomethyl phenyl methanol,2-morpholin-4-ylmethyl phenyl methanol,2-morpholinomethyl-benzylalkohol,o-morpholin-1-yl methyl benzyl alcohol,benzenemethanol, 2-4-morpholinylmethyl,2-morpholin-4-yl methyl phenyl methanol,2-morpholin-4-ylmethyl phenyl methan-1-ol,2-morpholin-4-yl-methyl-phenyl-methanol hydrochloride,2-morpholin-4-ylmethyl phenyl methanol saltdata: hcl
IUPAC Name	[2-(morpholin-4-ylmethyl)phenyl]methanol
InChI Key	JOBIKMKNOFLXRQ-UHFFFAOYSA-N
Molecular Formula	C12H17NO2

3,490

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Methyl 4-fluorobenzoate, 97%

CAS: 403-33-8 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00017959 InChI Key: MSEBQGULDWDIRW-UHFFFAOYSA-N Synonym: methyl p-fluorobenzoate,4-fluorobenzoic acid methyl ester,methyl 4-fluorobenzoic acid,benzoic acid, 4-fluoro-, methyl ester,methyl4-fluorobenzoate,methyl-4-fluorobenzoate,4-fluoro-benzoic acid methyl ester,pubchem3566,acmc-1aef0,asischem p32019 PubChem CID: 67878 IUPAC Name: methyl 4-fluorobenzoate SMILES: COC(=O)C1=CC=C(C=C1)F

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Specifications

PubChem CID	67878
CAS	403-33-8
Molecular Weight (g/mol)	154.14
MDL Number	MFCD00017959
SMILES	COC(=O)C1=CC=C(C=C1)F
Synonym	methyl p-fluorobenzoate,4-fluorobenzoic acid methyl ester,methyl 4-fluorobenzoic acid,benzoic acid, 4-fluoro-, methyl ester,methyl4-fluorobenzoate,methyl-4-fluorobenzoate,4-fluoro-benzoic acid methyl ester,pubchem3566,acmc-1aef0,asischem p32019
IUPAC Name	methyl 4-fluorobenzoate
InChI Key	MSEBQGULDWDIRW-UHFFFAOYSA-N
Molecular Formula	C8H7FO2

3,491

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

CAS: 127667-01-0 Molecular Formula: C8H6FNO Molecular Weight (g/mol): 151.14 MDL Number: MFCD00142921 InChI Key: VBZLRHYLNXWZIU-UHFFFAOYSA-N Synonym: 2-fluoro-5-methoxy-benzonitrile,benzonitrile, 2-fluoro-5-methoxy,3-cyano-4-fluoroanisole,fluoromethoxybenzonitrile2,2-fluoro-5-methoxybenzenecarbonitrile,pubchem3500,acmc-209bct,ksc494m9f,2-fluoro-5-methoxy benzonitrile,buttpark 80\01-21 PubChem CID: 2774546 IUPAC Name: 2-fluoro-5-methoxybenzonitrile SMILES: COC1=CC(C#N)=C(F)C=C1

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Specifications

PubChem CID	2774546
CAS	127667-01-0
Molecular Weight (g/mol)	151.14
MDL Number	MFCD00142921
SMILES	COC1=CC(C#N)=C(F)C=C1
Synonym	2-fluoro-5-methoxy-benzonitrile,benzonitrile, 2-fluoro-5-methoxy,3-cyano-4-fluoroanisole,fluoromethoxybenzonitrile2,2-fluoro-5-methoxybenzenecarbonitrile,pubchem3500,acmc-209bct,ksc494m9f,2-fluoro-5-methoxy benzonitrile,buttpark 80\01-21
IUPAC Name	2-fluoro-5-methoxybenzonitrile
InChI Key	VBZLRHYLNXWZIU-UHFFFAOYSA-N
Molecular Formula	C8H6FNO

3,492

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3,5-Difluorobenzylmagnesium bromide, 0.25M in 2-MeTHF

CAS: 1417985-27-3 Molecular Formula: C7H5BrF2Mg Molecular Weight (g/mol): 231.323 MDL Number: MFCD11113509 InChI Key: QAXANYLHEOPEGM-UHFFFAOYSA-M Synonym: 3,5-difluorobenzylmagnesium bromide, 0.25m in 2-methf,qpuypkpzikvhdr-uhfffaoysa-m,3,5-difluorobenzylmagnesium bromide,3,5-difluorobenzyl magnesium bromide,grignard reagent PubChem CID: 73995805 SMILES: [CH2-]C1=CC(=CC(=C1)F)F.[Mg+2].[Br-]

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Specifications

PubChem CID	73995805
CAS	1417985-27-3
Molecular Weight (g/mol)	231.323
MDL Number	MFCD11113509
SMILES	[CH2-]C1=CC(=CC(=C1)F)F.[Mg+2].[Br-]
Synonym	3,5-difluorobenzylmagnesium bromide, 0.25m in 2-methf,qpuypkpzikvhdr-uhfffaoysa-m,3,5-difluorobenzylmagnesium bromide,3,5-difluorobenzyl magnesium bromide,grignard reagent
InChI Key	QAXANYLHEOPEGM-UHFFFAOYSA-M
Molecular Formula	C7H5BrF2Mg

3,493

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3-Fluorobenzaldehyde, 98+%

CAS: 456-48-4 Molecular Formula: C₇H₅FO Molecular Weight (g/mol): 124.11 MDL Number: MFCD00003348 InChI Key: PIKNVEVCWAAOMJ-UHFFFAOYSA-N Synonym: m-fluorobenzaldehyde,benzaldehyde, 3-fluoro,3'-fluoro-benzaldehyde,3-fluoro-benzaldehyde,meta-fluorobenzaldehyde,benzaldehyde, m-fluoro,3-fc6h4cho,3-fluorobenzaldehyde,3-fluoro benzaldehyde,pubchem3477 PubChem CID: 68009 IUPAC Name: 3-fluorobenzaldehyde SMILES: C1=CC(=CC(=C1)F)C=O

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Specifications

PubChem CID	68009
CAS	456-48-4
Molecular Weight (g/mol)	124.11
MDL Number	MFCD00003348
SMILES	C1=CC(=CC(=C1)F)C=O
Synonym	m-fluorobenzaldehyde,benzaldehyde, 3-fluoro,3'-fluoro-benzaldehyde,3-fluoro-benzaldehyde,meta-fluorobenzaldehyde,benzaldehyde, m-fluoro,3-fc6h4cho,3-fluorobenzaldehyde,3-fluoro benzaldehyde,pubchem3477
IUPAC Name	3-fluorobenzaldehyde
InChI Key	PIKNVEVCWAAOMJ-UHFFFAOYSA-N
Molecular Formula	C₇H₅FO

3,494

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4-Bromo-3-methoxyaniline, 97%

CAS: 19056-40-7 Molecular Formula: C7H8BrNO Molecular Weight (g/mol): 202.05 MDL Number: MFCD05664063 InChI Key: RUTNWXBHRAIQSP-UHFFFAOYSA-N Synonym: 5-amino-2-bromoanisole,4-bromo-m-anisidine,4-bromo-3-methoxy-phenylamine,4-bromo-3-methoxy-aniline,3-methoxy-4-bromoaniline,4-bromo-3-methoxy aniline,4-bromo-3-methoxyphenylamine,benzenamine, 4-bromo-3-methoxy,4-bromo-3-methoxybenzenamine,pubchem3794 PubChem CID: 7018254 IUPAC Name: 4-bromo-3-methoxyaniline SMILES: COC1=C(Br)C=CC(N)=C1

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Specifications

PubChem CID	7018254
CAS	19056-40-7
Molecular Weight (g/mol)	202.05
MDL Number	MFCD05664063
SMILES	COC1=C(Br)C=CC(N)=C1
Synonym	5-amino-2-bromoanisole,4-bromo-m-anisidine,4-bromo-3-methoxy-phenylamine,4-bromo-3-methoxy-aniline,3-methoxy-4-bromoaniline,4-bromo-3-methoxy aniline,4-bromo-3-methoxyphenylamine,benzenamine, 4-bromo-3-methoxy,4-bromo-3-methoxybenzenamine,pubchem3794
IUPAC Name	4-bromo-3-methoxyaniline
InChI Key	RUTNWXBHRAIQSP-UHFFFAOYSA-N
Molecular Formula	C7H8BrNO

3,495

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3,4-Dichlorobenzyl bromide, 97%

CAS: 18880-04-1 Molecular Formula: C₇H₅BrCl₂ Molecular Weight (g/mol): 239.93 MDL Number: MFCD00041363 InChI Key: XLWSBDFQAJXCQX-UHFFFAOYSA-N Synonym: 3,4-dichlorobenzyl bromide,4-bromomethyl-1,2-dichlorobenzene,benzene, 4-bromomethyl-1,2-dichloro,3,4-dichlorobenzylbromide,alpha-bromo-3,4-dichlorotoluene,acmc-209erq,3,4 dichlorobenzyl bromide,3,4-dichloro-benzyl bromide,ksc493a6b,timtec-bb sbb005763 PubChem CID: 639726 IUPAC Name: 4-(bromomethyl)-1,2-dichlorobenzene SMILES: C1=CC(=C(C=C1CBr)Cl)Cl

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Specifications

PubChem CID	639726
CAS	18880-04-1
Molecular Weight (g/mol)	239.93
MDL Number	MFCD00041363
SMILES	C1=CC(=C(C=C1CBr)Cl)Cl
Synonym	3,4-dichlorobenzyl bromide,4-bromomethyl-1,2-dichlorobenzene,benzene, 4-bromomethyl-1,2-dichloro,3,4-dichlorobenzylbromide,alpha-bromo-3,4-dichlorotoluene,acmc-209erq,3,4 dichlorobenzyl bromide,3,4-dichloro-benzyl bromide,ksc493a6b,timtec-bb sbb005763
IUPAC Name	4-(bromomethyl)-1,2-dichlorobenzene
InChI Key	XLWSBDFQAJXCQX-UHFFFAOYSA-N
Molecular Formula	C₇H₅BrCl₂

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Benzene and substituted derivatives

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