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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961 – 975 of 57,364 results

961

2,5-Dichlorobenzyl chloride, 97%

CAS: 2745-49-5 Molecular Formula: C7H5Cl3 Molecular Weight (g/mol): 195.467 MDL Number: MFCD00035818 InChI Key: OMZINLIPPVNUOG-UHFFFAOYSA-N Synonym: 2,5-dichlorobenzyl chloride,1,4-dichloro-2-chloromethyl benzene,2,5-dichlorobenzylchloride,1,4-dichloro-2-chloromethyl-benzene,unii-g46i9555fb,benzene, 1,4-dichloro-2-chloromethyl,acmc-20a58t,alpha,2,5-trichlorotoluene,unii-6q4qcu6n2r component PubChem CID: 75976 IUPAC Name: 1,4-dichloro-2-(chloromethyl)benzene SMILES: C1=CC(=C(C=C1Cl)CCl)Cl

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Specifications

PubChem CID	75976
CAS	2745-49-5
Molecular Weight (g/mol)	195.467
MDL Number	MFCD00035818
SMILES	C1=CC(=C(C=C1Cl)CCl)Cl
Synonym	2,5-dichlorobenzyl chloride,1,4-dichloro-2-chloromethyl benzene,2,5-dichlorobenzylchloride,1,4-dichloro-2-chloromethyl-benzene,unii-g46i9555fb,benzene, 1,4-dichloro-2-chloromethyl,acmc-20a58t,alpha,2,5-trichlorotoluene,unii-6q4qcu6n2r component
IUPAC Name	1,4-dichloro-2-(chloromethyl)benzene
InChI Key	OMZINLIPPVNUOG-UHFFFAOYSA-N
Molecular Formula	C7H5Cl3

962

2-(4-Bromophenyl)furan, ≥97%, Thermo Scientific™

CAS: 14297-34-8 Molecular Formula: C10H7BrO Molecular Weight (g/mol): 223.069 MDL Number: MFCD07775614 InChI Key: FBIKSVALROQWIY-UHFFFAOYSA-N Synonym: 2-4-bromophenyl furan,2-4-bromophenyl-furan,pubchem2039,2 4-bromophenyl furan,2-p-bromophenyl furan,4-bromo-2-furyl benzene,furan, 2-4-bromophenyl PubChem CID: 11276114 IUPAC Name: 2-(4-bromophenyl)furan SMILES: C1=COC(=C1)C2=CC=C(C=C2)Br

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Specifications

PubChem CID	11276114
CAS	14297-34-8
Molecular Weight (g/mol)	223.069
MDL Number	MFCD07775614
SMILES	C1=COC(=C1)C2=CC=C(C=C2)Br
Synonym	2-4-bromophenyl furan,2-4-bromophenyl-furan,pubchem2039,2 4-bromophenyl furan,2-p-bromophenyl furan,4-bromo-2-furyl benzene,furan, 2-4-bromophenyl
IUPAC Name	2-(4-bromophenyl)furan
InChI Key	FBIKSVALROQWIY-UHFFFAOYSA-N
Molecular Formula	C10H7BrO

963

2,4-Dimethoxybenzylamine, 98%

CAS: 20781-20-8 Molecular Formula: C₉H₁₃NO₂ Molecular Weight (g/mol): 167.21 MDL Number: MFCD00052393 InChI Key: QOWBXWFYRXSBAS-UHFFFAOYSA-N Synonym: 2,4-dimethoxybenzylamine,2,4-dimethoxyphenyl methanamine,2,4-dimethoxy benzylamine,1-2,4-dimethoxyphenyl methanamine,benzenemethanamine, 2,4-dimethoxy,2,4-dimethoxybenzyl amine,2,4-dimethoxyphenyl methylamine,2, 4-dimethoxybenzylamine,pubchem7398,2,4dimethoxybenzylamine PubChem CID: 597250 IUPAC Name: (2,4-dimethoxyphenyl)methanamine SMILES: COC1=CC(=C(C=C1)CN)OC

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Specifications

PubChem CID	597250
CAS	20781-20-8
Molecular Weight (g/mol)	167.21
MDL Number	MFCD00052393
SMILES	COC1=CC(=C(C=C1)CN)OC
Synonym	2,4-dimethoxybenzylamine,2,4-dimethoxyphenyl methanamine,2,4-dimethoxy benzylamine,1-2,4-dimethoxyphenyl methanamine,benzenemethanamine, 2,4-dimethoxy,2,4-dimethoxybenzyl amine,2,4-dimethoxyphenyl methylamine,2, 4-dimethoxybenzylamine,pubchem7398,2,4dimethoxybenzylamine
IUPAC Name	(2,4-dimethoxyphenyl)methanamine
InChI Key	QOWBXWFYRXSBAS-UHFFFAOYSA-N
Molecular Formula	C₉H₁₃NO₂

964

Chlorobis[4-(trifluoromethyl)phenyl]phosphine, 97%

CAS: 13685-24-0 Molecular Formula: C14H8ClF6P Molecular Weight (g/mol): 356.632 MDL Number: MFCD04972304 InChI Key: PBLUOOURLNAOAJ-UHFFFAOYSA-N Synonym: bis 4-trifluoromethylphenyl chlorophosphine,chlorobis 4-trifluoromethyl phenyl phosphine,bis 4-trifluoromethyl phenyl chlorophosphine,chlorobis 4-trifluoromethyl phenyl phosphane,acmc-20alnb,chloro-bis 4-trifluoromethyl phenyl phosphane PubChem CID: 4379933 IUPAC Name: chloro-bis[4-(trifluoromethyl)phenyl]phosphane SMILES: C1=CC(=CC=C1C(F)(F)F)P(C2=CC=C(C=C2)C(F)(F)F)Cl

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Specifications

PubChem CID	4379933
CAS	13685-24-0
Molecular Weight (g/mol)	356.632
MDL Number	MFCD04972304
SMILES	C1=CC(=CC=C1C(F)(F)F)P(C2=CC=C(C=C2)C(F)(F)F)Cl
Synonym	bis 4-trifluoromethylphenyl chlorophosphine,chlorobis 4-trifluoromethyl phenyl phosphine,bis 4-trifluoromethyl phenyl chlorophosphine,chlorobis 4-trifluoromethyl phenyl phosphane,acmc-20alnb,chloro-bis 4-trifluoromethyl phenyl phosphane
IUPAC Name	chloro-bis[4-(trifluoromethyl)phenyl]phosphane
InChI Key	PBLUOOURLNAOAJ-UHFFFAOYSA-N
Molecular Formula	C14H8ClF6P

965

4-Ethylbenzoic acid, 97%

CAS: 619-64-7 Molecular Formula: C₉H₁₀O₂ Molecular Weight (g/mol): 150.18 MDL Number: MFCD00002570 InChI Key: ZQVKTHRQIXSMGY-UHFFFAOYSA-N Synonym: benzoic acid, 4-ethyl,p-ethylbenzoic acid,4-ethyl benzoic acid,4-ethyl-benzoic acid,unii-9tkm8p0g6r,9tkm8p0g6r,p-ethylbenzoate,4-ethyl benzoate,4-ethylbenzoicacid,p-ethylbenzoic acid; PubChem CID: 12086 IUPAC Name: 4-ethylbenzoic acid SMILES: CCC1=CC=C(C=C1)C(=O)O

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Specifications

PubChem CID	12086
CAS	619-64-7
Molecular Weight (g/mol)	150.18
MDL Number	MFCD00002570
SMILES	CCC1=CC=C(C=C1)C(=O)O
Synonym	benzoic acid, 4-ethyl,p-ethylbenzoic acid,4-ethyl benzoic acid,4-ethyl-benzoic acid,unii-9tkm8p0g6r,9tkm8p0g6r,p-ethylbenzoate,4-ethyl benzoate,4-ethylbenzoicacid,p-ethylbenzoic acid;
IUPAC Name	4-ethylbenzoic acid
InChI Key	ZQVKTHRQIXSMGY-UHFFFAOYSA-N
Molecular Formula	C₉H₁₀O₂

966

3-Formylbenzeneboronic acid

CAS: 87199-16-4 Molecular Formula: C7H7BO3 Molecular Weight (g/mol): 149.94 MDL Number: MFCD00161356 InChI Key: HJBGZJMKTOMQRR-UHFFFAOYSA-N Synonym: 3-formylphenyl boronic acid,3-formylbenzeneboronic acid,3-boronobenzaldehyde,3-formyl phenylboronic acid,3-formylboronic acid,m-formylphenylboronic acid,3-dihydroxyboryl benzaldehyde,boronic acid, 3-formylphenyl,3-formylphenylboronicacid PubChem CID: 2734356 IUPAC Name: (3-formylphenyl)boronic acid SMILES: OB(O)C1=CC=CC(C=O)=C1

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Specifications

PubChem CID	2734356
CAS	87199-16-4
Molecular Weight (g/mol)	149.94
MDL Number	MFCD00161356
SMILES	OB(O)C1=CC=CC(C=O)=C1
Synonym	3-formylphenyl boronic acid,3-formylbenzeneboronic acid,3-boronobenzaldehyde,3-formyl phenylboronic acid,3-formylboronic acid,m-formylphenylboronic acid,3-dihydroxyboryl benzaldehyde,boronic acid, 3-formylphenyl,3-formylphenylboronicacid
IUPAC Name	(3-formylphenyl)boronic acid
InChI Key	HJBGZJMKTOMQRR-UHFFFAOYSA-N
Molecular Formula	C7H7BO3

967

Thermo Scientific Chemicals Amisulpride

CAS: 71675-85-9 Molecular Formula: C₁₇H₂₇N₃O₄S Molecular Weight (g/mol): 369.48 InChI Key: NTJOBXMMWNYJFB-UHFFFAOYSA-N Synonym: amisulpride,aminosultopride,solian,amisulprida,amisulpridum,deniban,amisulpridum inn-latin,amisulprida inn-spanish,amisulpride inn,amisulpiride PubChem CID: 2159 ChEBI: CHEBI:64045 IUPAC Name: 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide SMILES: CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC

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Specifications

PubChem CID	2159
CAS	71675-85-9
Molecular Weight (g/mol)	369.48
ChEBI	CHEBI:64045
SMILES	CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC
Synonym	amisulpride,aminosultopride,solian,amisulprida,amisulpridum,deniban,amisulpridum inn-latin,amisulprida inn-spanish,amisulpride inn,amisulpiride
IUPAC Name	4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide
InChI Key	NTJOBXMMWNYJFB-UHFFFAOYSA-N
Molecular Formula	C₁₇H₂₇N₃O₄S

968

1-Bromo-4-n-nonylbenzene, 98%

CAS: 51554-94-0 Molecular Formula: C15H23Br Molecular Weight (g/mol): 283.25 MDL Number: MFCD00061116 InChI Key: LVCWOFRWEVUMNY-UHFFFAOYSA-N Synonym: 1-bromo-4-n-nonylbenzene,bromononylbenzene,4-nonylbromobenzene,4-n-nonylbromobenzene,4-nonylphenyl bromide,acmc-209kuh,4-bromo-1-nonylbenzene,1-bromo-4-nonylbenzene PubChem CID: 12603095 IUPAC Name: 1-bromo-4-nonylbenzene SMILES: CCCCCCCCCC1=CC=C(Br)C=C1

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Specifications

PubChem CID	12603095
CAS	51554-94-0
Molecular Weight (g/mol)	283.25
MDL Number	MFCD00061116
SMILES	CCCCCCCCCC1=CC=C(Br)C=C1
Synonym	1-bromo-4-n-nonylbenzene,bromononylbenzene,4-nonylbromobenzene,4-n-nonylbromobenzene,4-nonylphenyl bromide,acmc-209kuh,4-bromo-1-nonylbenzene,1-bromo-4-nonylbenzene
IUPAC Name	1-bromo-4-nonylbenzene
InChI Key	LVCWOFRWEVUMNY-UHFFFAOYSA-N
Molecular Formula	C15H23Br

969

Dimethyl terephthalate, 99%

CAS: 120-61-6 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00008440 InChI Key: WOZVHXUHUFLZGK-UHFFFAOYSA-N Synonym: dimethyl terephthalate,dimethyl p-phthalate,1,4-benzenedicarboxylic acid, dimethyl ester,dimethyl p-benzenedicarboxylate,di-me terephthalate,dimethyl 4-phthalate,terephthalic acid, dimethyl ester,dimethyl 1,4-benzenedicarboxylate,terephthalic acid dimethyl ester,methyl p-methoxycarbonyl benzoate PubChem CID: 8441 SMILES: COC(=O)C1=CC=C(C=C1)C(=O)OC

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Specifications

PubChem CID	8441
CAS	120-61-6
Molecular Weight (g/mol)	194.19
MDL Number	MFCD00008440
SMILES	COC(=O)C1=CC=C(C=C1)C(=O)OC
Synonym	dimethyl terephthalate,dimethyl p-phthalate,1,4-benzenedicarboxylic acid, dimethyl ester,dimethyl p-benzenedicarboxylate,di-me terephthalate,dimethyl 4-phthalate,terephthalic acid, dimethyl ester,dimethyl 1,4-benzenedicarboxylate,terephthalic acid dimethyl ester,methyl p-methoxycarbonyl benzoate
InChI Key	WOZVHXUHUFLZGK-UHFFFAOYSA-N
Molecular Formula	C10H10O4

970

3,4-Difluorophenylacetic acid, 98%, Thermo Scientific Chemicals

CAS: 658-93-5 Molecular Formula: C8H6F2O2 Molecular Weight (g/mol): 172.131 MDL Number: MFCD00010002 InChI Key: YCAKYFIYUHHCKW-UHFFFAOYSA-N Synonym: 3,4-difluorophenylacetic acid,2-3,4-difluorophenyl acetic acid,3,4-difluorophenyl acetic acid,benzeneacetic acid, 3,4-difluoro,3,4-difluorobenzeneacetic acid,3,4-difluorophenylaceticacid,pubchem4154,acmc-209nst,ksc355a2l,rarechem al bo 0250 PubChem CID: 69571 IUPAC Name: 2-(3,4-difluorophenyl)acetic acid SMILES: C1=CC(=C(C=C1CC(=O)O)F)F

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Specifications

PubChem CID	69571
CAS	658-93-5
Molecular Weight (g/mol)	172.131
MDL Number	MFCD00010002
SMILES	C1=CC(=C(C=C1CC(=O)O)F)F
Synonym	3,4-difluorophenylacetic acid,2-3,4-difluorophenyl acetic acid,3,4-difluorophenyl acetic acid,benzeneacetic acid, 3,4-difluoro,3,4-difluorobenzeneacetic acid,3,4-difluorophenylaceticacid,pubchem4154,acmc-209nst,ksc355a2l,rarechem al bo 0250
IUPAC Name	2-(3,4-difluorophenyl)acetic acid
InChI Key	YCAKYFIYUHHCKW-UHFFFAOYSA-N
Molecular Formula	C8H6F2O2

971

2-Fluoro-4-(trifluoromethyl)benzonitrile, 98%

CAS: 146070-34-0 Molecular Formula: C8H3F4N Molecular Weight (g/mol): 189.113 MDL Number: MFCD00061279 InChI Key: JLTYVTXTSOYXMX-UHFFFAOYSA-N Synonym: 2-fluoro-4-trifluoromethyl benzonitrile,3-fluoro-4-cyano-benzotrifluoride,4-cyano-3-fluorobenzotrifluoride,2-fluoro-4-trifluoromethyl-benzonitrile,benzonitrile, 2-fluoro-4-trifluoromethyl,alpha,alpha,alpha,2-tetrafluoro-p-tolunitrile,2-fluoro-4-trifluoromethyl benzenecarbonitrile,.alpha.,.alpha.,.alpha.,2-tetrafluoro-p-tolunitrile,pubchem4798,intermediates-zcf02116 PubChem CID: 518973 IUPAC Name: 2-fluoro-4-(trifluoromethyl)benzonitrile SMILES: C1=CC(=C(C=C1C(F)(F)F)F)C#N

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Specifications

PubChem CID	518973
CAS	146070-34-0
Molecular Weight (g/mol)	189.113
MDL Number	MFCD00061279
SMILES	C1=CC(=C(C=C1C(F)(F)F)F)C#N
Synonym	2-fluoro-4-trifluoromethyl benzonitrile,3-fluoro-4-cyano-benzotrifluoride,4-cyano-3-fluorobenzotrifluoride,2-fluoro-4-trifluoromethyl-benzonitrile,benzonitrile, 2-fluoro-4-trifluoromethyl,alpha,alpha,alpha,2-tetrafluoro-p-tolunitrile,2-fluoro-4-trifluoromethyl benzenecarbonitrile,.alpha.,.alpha.,.alpha.,2-tetrafluoro-p-tolunitrile,pubchem4798,intermediates-zcf02116
IUPAC Name	2-fluoro-4-(trifluoromethyl)benzonitrile
InChI Key	JLTYVTXTSOYXMX-UHFFFAOYSA-N
Molecular Formula	C8H3F4N

972

4-Hydroxyphenylacetonitrile, 97%

CAS: 14191-95-8 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00002383 InChI Key: AYKYOOPFBCOXSL-UHFFFAOYSA-N Synonym: 4-hydroxybenzyl cyanide,4-hydroxyphenylacetonitrile,2-4-hydroxyphenyl acetonitrile,p-hydroxybenzyl cyanide,4-hydroxyphenyl acetonitrile,p-hydroxyphenylacetonitrile,4-hydroxybenzylcyanide,4-hydroxybenzeneacetonitrile,benzeneacetonitrile, 4-hydroxy,acetonitrile, p-hydroxyphenyl PubChem CID: 26548 ChEBI: CHEBI:16667 IUPAC Name: 2-(4-hydroxyphenyl)acetonitrile SMILES: OC1=CC=C(CC#N)C=C1

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Specifications

PubChem CID	26548
CAS	14191-95-8
Molecular Weight (g/mol)	133.15
ChEBI	CHEBI:16667
MDL Number	MFCD00002383
SMILES	OC1=CC=C(CC#N)C=C1
Synonym	4-hydroxybenzyl cyanide,4-hydroxyphenylacetonitrile,2-4-hydroxyphenyl acetonitrile,p-hydroxybenzyl cyanide,4-hydroxyphenyl acetonitrile,p-hydroxyphenylacetonitrile,4-hydroxybenzylcyanide,4-hydroxybenzeneacetonitrile,benzeneacetonitrile, 4-hydroxy,acetonitrile, p-hydroxyphenyl
IUPAC Name	2-(4-hydroxyphenyl)acetonitrile
InChI Key	AYKYOOPFBCOXSL-UHFFFAOYSA-N
Molecular Formula	C8H7NO

973

O-phthalaldehyde, 99.1%, MP Biomedicals™

CAS: 643-79-8 Molecular Formula: C8H6O2 Molecular Weight (g/mol): 134.13 MDL Number: MFCD00003335 InChI Key: ZWLUXSQADUDCSB-UHFFFAOYSA-N Synonym: o-phthalaldehyde,o-phthaldialdehyde,benzene-1,2-dicarboxaldehyde,1,2-benzenedicarboxaldehyde,phthaldialdehyde,phthalic aldehyde,phthalic dialdehyde,phthalyldicarboxaldehyde,ortho-phthalaldehyde,o-phthaldehyde PubChem CID: 4807 ChEBI: CHEBI:70851 SMILES: O=CC1=CC=CC=C1C=O

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Specifications

PubChem CID	4807
CAS	643-79-8
Molecular Weight (g/mol)	134.13
ChEBI	CHEBI:70851
MDL Number	MFCD00003335
SMILES	O=CC1=CC=CC=C1C=O
Synonym	o-phthalaldehyde,o-phthaldialdehyde,benzene-1,2-dicarboxaldehyde,1,2-benzenedicarboxaldehyde,phthaldialdehyde,phthalic aldehyde,phthalic dialdehyde,phthalyldicarboxaldehyde,ortho-phthalaldehyde,o-phthaldehyde
InChI Key	ZWLUXSQADUDCSB-UHFFFAOYSA-N
Molecular Formula	C8H6O2

974

2-Methylsulphonylaniline hydrochloride, 95%

CAS: 205985-95-1 Molecular Formula: C7H9NO2S Molecular Weight (g/mol): 171.21 MDL Number: MFCD00216484 InChI Key: AUSRSVRJOXYXMI-UHFFFAOYSA-N Synonym: 2-methylsulfonylaniline hydrochloride,2-methylsulfonyl aniline hydrochloride,2-methanesulfonylaniline hydrochloride,2-methylsulphonylaniline hydrochloride,2-methylsulphonyl aniline hydrochloride,2-methylsulfonyl aniline, hcl,2-methanesulfonyl-phenylammonium chloride,2-methylsulfonyl phenylamine hydrochloride PubChem CID: 2735177 IUPAC Name: 2-methylsulfonylaniline;hydrochloride SMILES: CS(=O)(=O)C1=CC=CC=C1N

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Specifications

PubChem CID	2735177
CAS	205985-95-1
Molecular Weight (g/mol)	171.21
MDL Number	MFCD00216484
SMILES	CS(=O)(=O)C1=CC=CC=C1N
Synonym	2-methylsulfonylaniline hydrochloride,2-methylsulfonyl aniline hydrochloride,2-methanesulfonylaniline hydrochloride,2-methylsulphonylaniline hydrochloride,2-methylsulphonyl aniline hydrochloride,2-methylsulfonyl aniline, hcl,2-methanesulfonyl-phenylammonium chloride,2-methylsulfonyl phenylamine hydrochloride
IUPAC Name	2-methylsulfonylaniline;hydrochloride
InChI Key	AUSRSVRJOXYXMI-UHFFFAOYSA-N
Molecular Formula	C7H9NO2S

975

4-Bromobenzylamine hydrochloride, 98%

CAS: 26177-44-6 Molecular Formula: C7H9BrClN Molecular Weight (g/mol): 222.51 MDL Number: MFCD00012860 InChI Key: BVYUYDBWQMSOKM-UHFFFAOYSA-N Synonym: 4-bromobenzylamine hydrochloride,4-bromophenyl methanamine hydrochloride,4-bromobenzylamine hcl,4-bba x hcl,4-bromo-benzylamine hydrochloride,p-bromobenzylamine hydrochloride,benzenemethanamine, 4-bromo-, hydrochloride,pubchem3751,acmc-1cfrz,4-bromobenzylamine, hcl PubChem CID: 2724096 IUPAC Name: (4-bromophenyl)methanamine;hydrochloride SMILES: [H+].[Cl-].NCC1=CC=C(Br)C=C1

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Specifications

PubChem CID	2724096
CAS	26177-44-6
Molecular Weight (g/mol)	222.51
MDL Number	MFCD00012860
SMILES	[H+].[Cl-].NCC1=CC=C(Br)C=C1
Synonym	4-bromobenzylamine hydrochloride,4-bromophenyl methanamine hydrochloride,4-bromobenzylamine hcl,4-bba x hcl,4-bromo-benzylamine hydrochloride,p-bromobenzylamine hydrochloride,benzenemethanamine, 4-bromo-, hydrochloride,pubchem3751,acmc-1cfrz,4-bromobenzylamine, hcl
IUPAC Name	(4-bromophenyl)methanamine;hydrochloride
InChI Key	BVYUYDBWQMSOKM-UHFFFAOYSA-N
Molecular Formula	C7H9BrClN

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