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Aniline and substituted anilines

Organic compounds that consist of a phenyl group attached to an amino group; aniline is the simplest aromatic amine. Anilines with additional substitutions are included.
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1

Nepsilon-(2,4-Dinitrophenyl)-L-lysine Hydrochloride 98.0+%, TCI America™

CAS: 14401-10-6 Molecular Formula: C12H16ClN4O6 Molecular Weight (g/mol): 347.73 MDL Number: MFCD00036383 InChI Key: FJDUWQCVTQNLPA-UHFFFAOYNA-N Synonym: Nepsilon-Dnp-L-lysine Hydrochloride, H-Lys(Dnp)-OH.HCl PubChem CID: 22872935 IUPAC Name: 2-amino-6-[(2,4-dinitrophenyl)amino]hexanoic acid hydrochloridyl SMILES: [Cl].NC(CCCCNC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C(O)=O

PubChem CID 22872935
CAS 14401-10-6
Molecular Weight (g/mol) 347.73
MDL Number MFCD00036383
SMILES [Cl].NC(CCCCNC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C(O)=O
Synonym Nepsilon-Dnp-L-lysine Hydrochloride, H-Lys(Dnp)-OH.HCl
IUPAC Name 2-amino-6-[(2,4-dinitrophenyl)amino]hexanoic acid hydrochloridyl
InChI Key FJDUWQCVTQNLPA-UHFFFAOYNA-N
Molecular Formula C12H16ClN4O6
2

2-Chloro-4,6-dibromoaniline 99.0+%, TCI America™

CAS: 874-18-0 Molecular Formula: C6H4Br2ClN Molecular Weight (g/mol): 285.363 MDL Number: MFCD00031419 InChI Key: MFROLNRQDCAZCD-UHFFFAOYSA-N Synonym: 2-chloro-4,6-dibromoaniline,6-chloro-2,4-dibromoaniline,4,6-dibromo-2-chlorophenylamine,pubchem3631,acmc-209qkg,4,6-dibromo-2-chloroaniline,benzenamine,2,4-dibromo-6-chloro,labotest-bb lt01147812,2,4-dibromo-6-chloroaniline,2,4-bis bromanyl-6-chloranyl-aniline PubChem CID: 4295982 IUPAC Name: 2,4-dibromo-6-chloroaniline SMILES: C1=C(C=C(C(=C1Br)N)Cl)Br

PubChem CID 4295982
CAS 874-18-0
Molecular Weight (g/mol) 285.363
MDL Number MFCD00031419
SMILES C1=C(C=C(C(=C1Br)N)Cl)Br
Synonym 2-chloro-4,6-dibromoaniline,6-chloro-2,4-dibromoaniline,4,6-dibromo-2-chlorophenylamine,pubchem3631,acmc-209qkg,4,6-dibromo-2-chloroaniline,benzenamine,2,4-dibromo-6-chloro,labotest-bb lt01147812,2,4-dibromo-6-chloroaniline,2,4-bis bromanyl-6-chloranyl-aniline
IUPAC Name 2,4-dibromo-6-chloroaniline
InChI Key MFROLNRQDCAZCD-UHFFFAOYSA-N
Molecular Formula C6H4Br2ClN
3

5-Mercapto-1-(4-methoxyphenyl)-1H-tetrazole 98.0+%, TCI America™

CAS: 13980-76-2 Molecular Formula: C8H8N4OS Molecular Weight (g/mol): 208.239 MDL Number: MFCD01321180 InChI Key: UFALKIBIWOKBDL-UHFFFAOYSA-N Synonym: 1-(4-Methoxyphenyl)-1H-tetrazole-5-thiol PubChem CID: 695766 IUPAC Name: 1-(4-methoxyphenyl)-2H-tetrazole-5-thione SMILES: COC1=CC=C(C=C1)N2C(=S)N=NN2

PubChem CID 695766
CAS 13980-76-2
Molecular Weight (g/mol) 208.239
MDL Number MFCD01321180
SMILES COC1=CC=C(C=C1)N2C(=S)N=NN2
Synonym 1-(4-Methoxyphenyl)-1H-tetrazole-5-thiol
IUPAC Name 1-(4-methoxyphenyl)-2H-tetrazole-5-thione
InChI Key UFALKIBIWOKBDL-UHFFFAOYSA-N
Molecular Formula C8H8N4OS
4
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4-Methoxyphenylhydrazine hydrochloride, 98%

CAS: 19501-58-7 Molecular Formula: C7H10N2O·ClH Molecular Weight (g/mol): 174.63 MDL Number: MFCD00012945 InChI Key: FQHCPFMTXFJZJS-UHFFFAOYSA-N Synonym: 4-methoxyphenylhydrazine hydrochloride,4-methoxyphenyl hydrazine hydrochloride,4-anisylhydrazine hydrochloride,4-methoxyphenylhydrazine hcl,p-methoxyphenylhydrazine hydrochloride,4-methoxyphenylhydrazine.hcl,1-4-methoxyphenyl hydrazine hydrochloride,p-anisylhydrazine hydrochloride,4-hydrazinoanisole hydrochloride,hydrazine, 4-methoxyphenyl-, monohydrochloride PubChem CID: 2723904 IUPAC Name: (4-methoxyphenyl)hydrazine;hydrochloride SMILES: COC1=CC=C(C=C1)NN.Cl

PubChem CID 2723904
CAS 19501-58-7
Molecular Weight (g/mol) 174.63
MDL Number MFCD00012945
SMILES COC1=CC=C(C=C1)NN.Cl
Synonym 4-methoxyphenylhydrazine hydrochloride,4-methoxyphenyl hydrazine hydrochloride,4-anisylhydrazine hydrochloride,4-methoxyphenylhydrazine hcl,p-methoxyphenylhydrazine hydrochloride,4-methoxyphenylhydrazine.hcl,1-4-methoxyphenyl hydrazine hydrochloride,p-anisylhydrazine hydrochloride,4-hydrazinoanisole hydrochloride,hydrazine, 4-methoxyphenyl-, monohydrochloride
IUPAC Name (4-methoxyphenyl)hydrazine;hydrochloride
InChI Key FQHCPFMTXFJZJS-UHFFFAOYSA-N
Molecular Formula C7H10N2O·ClH
5
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3,4-Diaminoanisole dihydrochloride, 98%

CAS: 59548-39-9 Molecular Formula: C7H10N2O·2ClH Molecular Weight (g/mol): 211.09 InChI Key: SXCHMHOBHJOXGC-UHFFFAOYSA-N Synonym: 4-methoxybenzene-1,2-diamine dihydrochloride,4-methoxy-o-phenylenediamine dihydrochloride,3,4-diaminoanisole dihydrochloride,1,2-benzenediamine, 4-methoxy-, dihydrochloride,3,4-diaminoanisole 2hcl,4-methoxy-phenylenediamine dihydrochloride,4-methoxy-1,2-benzenediamine dihydrochloride,4-methoxy-benzene-1,2-diamine dihydrochloride,4-methoxy-1,2-phenylenediamine dihydrochloride,4-methoxy-l,2-phenylene diamine dihydrochloride PubChem CID: 3085161 IUPAC Name: 4-methoxybenzene-1,2-diamine;dihydrochloride SMILES: COC1=CC(=C(C=C1)N)N.Cl.Cl

PubChem CID 3085161
CAS 59548-39-9
Molecular Weight (g/mol) 211.09
SMILES COC1=CC(=C(C=C1)N)N.Cl.Cl
Synonym 4-methoxybenzene-1,2-diamine dihydrochloride,4-methoxy-o-phenylenediamine dihydrochloride,3,4-diaminoanisole dihydrochloride,1,2-benzenediamine, 4-methoxy-, dihydrochloride,3,4-diaminoanisole 2hcl,4-methoxy-phenylenediamine dihydrochloride,4-methoxy-1,2-benzenediamine dihydrochloride,4-methoxy-benzene-1,2-diamine dihydrochloride,4-methoxy-1,2-phenylenediamine dihydrochloride,4-methoxy-l,2-phenylene diamine dihydrochloride
IUPAC Name 4-methoxybenzene-1,2-diamine;dihydrochloride
InChI Key SXCHMHOBHJOXGC-UHFFFAOYSA-N
Molecular Formula C7H10N2O·2ClH
6
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2-Methoxyphenyl isocyanate, 98%

CAS: 700-87-8 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.15 MDL Number: MFCD00002004 InChI Key: SUVCZZADQDCIEQ-UHFFFAOYSA-N Synonym: 2-methoxyphenyl isocyanate,2-methoxyphenylisocyanate,benzene, 1-isocyanato-2-methoxy,o-methoxyphenyl isocyanate,2-isocyanatoanisole,1-isocyanato-2-methoxy-benzene,o-anisylisocyanate,2-methoxybenzenisocyanate,o-anisyl isocyanate,methoxyphenyl isocyanate PubChem CID: 69695 IUPAC Name: 1-isocyanato-2-methoxybenzene SMILES: COC1=CC=CC=C1N=C=O

PubChem CID 69695
CAS 700-87-8
Molecular Weight (g/mol) 149.15
MDL Number MFCD00002004
SMILES COC1=CC=CC=C1N=C=O
Synonym 2-methoxyphenyl isocyanate,2-methoxyphenylisocyanate,benzene, 1-isocyanato-2-methoxy,o-methoxyphenyl isocyanate,2-isocyanatoanisole,1-isocyanato-2-methoxy-benzene,o-anisylisocyanate,2-methoxybenzenisocyanate,o-anisyl isocyanate,methoxyphenyl isocyanate
IUPAC Name 1-isocyanato-2-methoxybenzene
InChI Key SUVCZZADQDCIEQ-UHFFFAOYSA-N
Molecular Formula C8H7NO2
7
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2,6-Dibromoaniline, 97%, Thermo Scientific Chemicals

CAS: 608-30-0 Molecular Formula: C6H5Br2N Molecular Weight (g/mol): 250.92 MDL Number: MFCD00007638 InChI Key: XIRRDAWDNHRRLB-UHFFFAOYSA-N Synonym: benzenamine, 2,6-dibromo,2,6-dibromophenylamine,2,6-dibromobenzenamine,aniline, 2,6-dibromo,2,6-dibromo-phenylamine,2,6-dibromo-aniline,acmc-1aycf,2,6-dibromoaniline,2,6-dibromo-phenyl-amine,ksc356c3l PubChem CID: 69098 IUPAC Name: 2,6-dibromoaniline SMILES: NC1=C(Br)C=CC=C1Br

PubChem CID 69098
CAS 608-30-0
Molecular Weight (g/mol) 250.92
MDL Number MFCD00007638
SMILES NC1=C(Br)C=CC=C1Br
Synonym benzenamine, 2,6-dibromo,2,6-dibromophenylamine,2,6-dibromobenzenamine,aniline, 2,6-dibromo,2,6-dibromo-phenylamine,2,6-dibromo-aniline,acmc-1aycf,2,6-dibromoaniline,2,6-dibromo-phenyl-amine,ksc356c3l
IUPAC Name 2,6-dibromoaniline
InChI Key XIRRDAWDNHRRLB-UHFFFAOYSA-N
Molecular Formula C6H5Br2N
8
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Thermo Scientific Chemicals Nitro Blue Tetrazolium Chloride, 90%

CAS: 298-83-9 Molecular Formula: C40H30Cl2N10O6 Molecular Weight (g/mol): 817.65 InChI Key: FSVCQIDHPKZJSO-UHFFFAOYSA-L Synonym: nitrotetrazolium blue chloride,nitro bt,nitro blue tetrazolium,nbt,nitro blue tetrazolium chloride,p-nitrotetrazolium blue,nitrotetrazolium blue,nitroblue tetrazolium chloride,p-nitro blue tetrazolium chloride,nitro tetrazolium bt PubChem CID: 9281 ChEBI: CHEBI:9505 IUPAC Name: 2-[2-methoxy-4-[3-methoxy-4-[3-(4-nitrophenyl)-5-phenyltetrazol-2-ium-2-yl]phenyl]phenyl]-3-(4-nitrophenyl)-5-phenyltetrazol-2-ium;dichloride SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)[N+]3=NC(=NN3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5)OC)[N+]6=NC(=NN6C7=CC=C(C=C7)[N+](=O)[O-])C8=CC=CC=C8.[Cl-].[Cl-]

PubChem CID 9281
CAS 298-83-9
Molecular Weight (g/mol) 817.65
ChEBI CHEBI:9505
SMILES COC1=C(C=CC(=C1)C2=CC(=C(C=C2)[N+]3=NC(=NN3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5)OC)[N+]6=NC(=NN6C7=CC=C(C=C7)[N+](=O)[O-])C8=CC=CC=C8.[Cl-].[Cl-]
Synonym nitrotetrazolium blue chloride,nitro bt,nitro blue tetrazolium,nbt,nitro blue tetrazolium chloride,p-nitrotetrazolium blue,nitrotetrazolium blue,nitroblue tetrazolium chloride,p-nitro blue tetrazolium chloride,nitro tetrazolium bt
IUPAC Name 2-[2-methoxy-4-[3-methoxy-4-[3-(4-nitrophenyl)-5-phenyltetrazol-2-ium-2-yl]phenyl]phenyl]-3-(4-nitrophenyl)-5-phenyltetrazol-2-ium;dichloride
InChI Key FSVCQIDHPKZJSO-UHFFFAOYSA-L
Molecular Formula C40H30Cl2N10O6
9
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6-Methoxy-8-nitroquinoline, 99%, Thermo Scientific™

CAS: 85-81-4 Molecular Formula: C10H8N2O3 Molecular Weight (g/mol): 204.18 MDL Number: MFCD00006802 InChI Key: MIMUSZHMZBJBPO-UHFFFAOYSA-N Synonym: quinoline, 6-methoxy-8-nitro,6-methoxy-8-nitro-quinoline,8-nitro-6-methoxyquinoline,methyl 8-nitro-6-quinolyl ether,unii-ats412o1xo,ats412o1xo,pubchem9433,acmc-209q7l,5-21-03-00248 beilstein handbook reference,ksc655o7n PubChem CID: 6822 IUPAC Name: 6-methoxy-8-nitroquinoline SMILES: COC1=CC(=C2C(=C1)C=CC=N2)[N+](=O)[O-]

PubChem CID 6822
CAS 85-81-4
Molecular Weight (g/mol) 204.18
MDL Number MFCD00006802
SMILES COC1=CC(=C2C(=C1)C=CC=N2)[N+](=O)[O-]
Synonym quinoline, 6-methoxy-8-nitro,6-methoxy-8-nitro-quinoline,8-nitro-6-methoxyquinoline,methyl 8-nitro-6-quinolyl ether,unii-ats412o1xo,ats412o1xo,pubchem9433,acmc-209q7l,5-21-03-00248 beilstein handbook reference,ksc655o7n
IUPAC Name 6-methoxy-8-nitroquinoline
InChI Key MIMUSZHMZBJBPO-UHFFFAOYSA-N
Molecular Formula C10H8N2O3
10

4-Aminoveratrole, 98%

CAS: 6315-89-5 Molecular Formula: C8H11NO2 Molecular Weight (g/mol): 153.18 MDL Number: MFCD00008394 InChI Key: LGDHZCLREKIGKJ-UHFFFAOYSA-N Synonym: 4-aminoveratrole,benzenamine, 3,4-dimethoxy,4-aminoveratrol,3,4-dimethoxybenzenamine,2-methoxy-4-aminoanisole,3,4-dimethoxy aniline,aniline, 3,4-dimethoxy,3,4-dimethyloxy aniline,3,4-dimethoxy-phenylamine PubChem CID: 22770 IUPAC Name: 3,4-dimethoxyaniline SMILES: COC1=C(C=C(C=C1)N)OC

PubChem CID 22770
CAS 6315-89-5
Molecular Weight (g/mol) 153.18
MDL Number MFCD00008394
SMILES COC1=C(C=C(C=C1)N)OC
Synonym 4-aminoveratrole,benzenamine, 3,4-dimethoxy,4-aminoveratrol,3,4-dimethoxybenzenamine,2-methoxy-4-aminoanisole,3,4-dimethoxy aniline,aniline, 3,4-dimethoxy,3,4-dimethyloxy aniline,3,4-dimethoxy-phenylamine
IUPAC Name 3,4-dimethoxyaniline
InChI Key LGDHZCLREKIGKJ-UHFFFAOYSA-N
Molecular Formula C8H11NO2
11
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3,4,5-Trimethoxyaniline, 97%

CAS: 24313-88-0 Molecular Formula: C9H13NO3 Molecular Weight (g/mol): 183.21 MDL Number: MFCD00008393 InChI Key: XEFRNCLPPFDWAC-UHFFFAOYSA-N Synonym: benzenamine, 3,4,5-trimethoxy,3,4,5-trimethoxy aniline,3,4,5-trimethoxybenzenamine,3,4,5-trimethoxy-phenylamine,3,4,5-trimethoxyphenylamine,3,5-trimethoxyaniline,3,4,5-trimethoxyanilin,acmc-1cdy7,intermediates-zcf02654,3,4,5-trimethoxyaniline PubChem CID: 32285 IUPAC Name: 3,4,5-trimethoxyaniline SMILES: COC1=CC(=CC(=C1OC)OC)N

PubChem CID 32285
CAS 24313-88-0
Molecular Weight (g/mol) 183.21
MDL Number MFCD00008393
SMILES COC1=CC(=CC(=C1OC)OC)N
Synonym benzenamine, 3,4,5-trimethoxy,3,4,5-trimethoxy aniline,3,4,5-trimethoxybenzenamine,3,4,5-trimethoxy-phenylamine,3,4,5-trimethoxyphenylamine,3,5-trimethoxyaniline,3,4,5-trimethoxyanilin,acmc-1cdy7,intermediates-zcf02654,3,4,5-trimethoxyaniline
IUPAC Name 3,4,5-trimethoxyaniline
InChI Key XEFRNCLPPFDWAC-UHFFFAOYSA-N
Molecular Formula C9H13NO3
12
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3,4-Dimethoxyaniline, 98+%

CAS: 6315-89-5 Molecular Formula: C8H11NO2 Molecular Weight (g/mol): 153.181 MDL Number: MFCD00008394 InChI Key: LGDHZCLREKIGKJ-UHFFFAOYSA-N Synonym: 4-aminoveratrole,benzenamine, 3,4-dimethoxy,4-aminoveratrol,3,4-dimethoxybenzenamine,2-methoxy-4-aminoanisole,3,4-dimethoxy aniline,aniline, 3,4-dimethoxy,3,4-dimethyloxy aniline,3,4-dimethoxy-phenylamine PubChem CID: 22770 IUPAC Name: 3,4-dimethoxyaniline SMILES: COC1=C(C=C(C=C1)N)OC

PubChem CID 22770
CAS 6315-89-5
Molecular Weight (g/mol) 153.181
MDL Number MFCD00008394
SMILES COC1=C(C=C(C=C1)N)OC
Synonym 4-aminoveratrole,benzenamine, 3,4-dimethoxy,4-aminoveratrol,3,4-dimethoxybenzenamine,2-methoxy-4-aminoanisole,3,4-dimethoxy aniline,aniline, 3,4-dimethoxy,3,4-dimethyloxy aniline,3,4-dimethoxy-phenylamine
IUPAC Name 3,4-dimethoxyaniline
InChI Key LGDHZCLREKIGKJ-UHFFFAOYSA-N
Molecular Formula C8H11NO2
13
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3-Methoxyphenyl isothiocyanate, 98%

CAS: 3125-64-2 Molecular Formula: C8H7NOS Molecular Weight (g/mol): 165.21 MDL Number: MFCD00040335 InChI Key: WHBYCPUKGYEYFU-UHFFFAOYSA-N Synonym: 3-methoxyphenyl isothiocyanate,3-methoxyphenylisothiocyanate,1-isothiocyanato-3-methoxy-benzene,3-isothiocyanatoanisole,acmc-1cldj,m-methoxyphenyl isothiocyanate,3-methoxy phenyl isothiocyanate,3-methoxy-phenyl isothiocyanate,# PubChem CID: 137832 IUPAC Name: 1-isothiocyanato-3-methoxybenzene SMILES: COC1=CC=CC(=C1)N=C=S

PubChem CID 137832
CAS 3125-64-2
Molecular Weight (g/mol) 165.21
MDL Number MFCD00040335
SMILES COC1=CC=CC(=C1)N=C=S
Synonym 3-methoxyphenyl isothiocyanate,3-methoxyphenylisothiocyanate,1-isothiocyanato-3-methoxy-benzene,3-isothiocyanatoanisole,acmc-1cldj,m-methoxyphenyl isothiocyanate,3-methoxy phenyl isothiocyanate,3-methoxy-phenyl isothiocyanate,#
IUPAC Name 1-isothiocyanato-3-methoxybenzene
InChI Key WHBYCPUKGYEYFU-UHFFFAOYSA-N
Molecular Formula C8H7NOS
14
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3,5-Dinitroaniline, 98%

CAS: 618-87-1 MDL Number: MFCD00007263 InChI Key: MPBZUKLDHPOCLS-UHFFFAOYSA-N Synonym: benzenamine, 3,5-dinitro,aniline, 3,5-dinitro,unii-0ahr6k1n73,ccris 3109,3,5-dinitrophenylamine,3-5-dinitro-phenylamine,3,5-dinitroanilin,aniline,5-dinitro,acmc-209mx8,benzenamine,3,5-dinitro PubChem CID: 12068 IUPAC Name: 3,5-dinitroaniline SMILES: C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N

PubChem CID 12068
CAS 618-87-1
MDL Number MFCD00007263
SMILES C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N
Synonym benzenamine, 3,5-dinitro,aniline, 3,5-dinitro,unii-0ahr6k1n73,ccris 3109,3,5-dinitrophenylamine,3-5-dinitro-phenylamine,3,5-dinitroanilin,aniline,5-dinitro,acmc-209mx8,benzenamine,3,5-dinitro
IUPAC Name 3,5-dinitroaniline
InChI Key MPBZUKLDHPOCLS-UHFFFAOYSA-N
15

2,4-Dibromo-6-fluoroaniline, 97%, Thermo Scientific™

CAS: 141474-37-5 Molecular Formula: C6H4Br2FN Molecular Weight (g/mol): 268.91 MDL Number: MFCD00042230 InChI Key: YJLXEKFYZIBUPJ-UHFFFAOYSA-N Synonym: benzenamine, 2,4-dibromo-6-fluoro,2,4-dibromo-6-fluorobenzenamine,2,4-dibromo-6-fluoro-phenylamine,2,4-dibromo-6-fluoro aniline,pubchem3442,intermediates-zcf02078,ksc494o1h,2,4-dibromo-6-fluoro-aniline,acmc-1c814,4,6-dibromo-2-fluorophenylamine PubChem CID: 2736765 IUPAC Name: 2,4-dibromo-6-fluoroaniline SMILES: NC1=C(F)C=C(Br)C=C1Br

PubChem CID 2736765
CAS 141474-37-5
Molecular Weight (g/mol) 268.91
MDL Number MFCD00042230
SMILES NC1=C(F)C=C(Br)C=C1Br
Synonym benzenamine, 2,4-dibromo-6-fluoro,2,4-dibromo-6-fluorobenzenamine,2,4-dibromo-6-fluoro-phenylamine,2,4-dibromo-6-fluoro aniline,pubchem3442,intermediates-zcf02078,ksc494o1h,2,4-dibromo-6-fluoro-aniline,acmc-1c814,4,6-dibromo-2-fluorophenylamine
IUPAC Name 2,4-dibromo-6-fluoroaniline
InChI Key YJLXEKFYZIBUPJ-UHFFFAOYSA-N
Molecular Formula C6H4Br2FN