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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

3,5-Dibromo-1,2-phenylenediamine Monohydrochloride 99.0+%, TCI America™

CAS: 75568-11-5 Molecular Formula: C6H7Br2ClN2 Molecular Weight (g/mol): 302.394 MDL Number: MFCD00012967 InChI Key: QOZDVKFQMGARCC-UHFFFAOYSA-N Synonym: 3,5-dibromo-1,2-phenylenediamine monohydrochloride,3,5-dibromobenzene-1,2-diamine hydrochloride,acmc-20andn,1,2-diamino-3,5-dibromobenzene monohydrochloride,3,5-bis bromanyl benzene-1,2-diamine hydrochloride,3,5-dibromo-1,2-phenylenediamine hydrochloride,1,2-benzenediamine,3,5-dibromo-, hydrochloride 1:1,3,5-dibromo-ortho-phenylenediamine monohydrochloride,3,5-dibromobenzene-1,2-diamine-hydrogen chloride 1/1,3,5-dibromo-1,2-phenylenediaminemonohydrochloride sensitivereagentforthedeterminationofsebygc-ecd PubChem CID: 2724285 IUPAC Name: 3,5-dibromobenzene-1,2-diamine;hydrochloride SMILES: C1=C(C=C(C(=C1Br)N)N)Br.Cl

PubChem CID 2724285
CAS 75568-11-5
Molecular Weight (g/mol) 302.394
MDL Number MFCD00012967
SMILES C1=C(C=C(C(=C1Br)N)N)Br.Cl
Synonym 3,5-dibromo-1,2-phenylenediamine monohydrochloride,3,5-dibromobenzene-1,2-diamine hydrochloride,acmc-20andn,1,2-diamino-3,5-dibromobenzene monohydrochloride,3,5-bis bromanyl benzene-1,2-diamine hydrochloride,3,5-dibromo-1,2-phenylenediamine hydrochloride,1,2-benzenediamine,3,5-dibromo-, hydrochloride 1:1,3,5-dibromo-ortho-phenylenediamine monohydrochloride,3,5-dibromobenzene-1,2-diamine-hydrogen chloride 1/1,3,5-dibromo-1,2-phenylenediaminemonohydrochloride sensitivereagentforthedeterminationofsebygc-ecd
IUPAC Name 3,5-dibromobenzene-1,2-diamine;hydrochloride
InChI Key QOZDVKFQMGARCC-UHFFFAOYSA-N
Molecular Formula C6H7Br2ClN2
3

2-Bromo-6-fluoroaniline 98.0+%, TCI America™

CAS: 65896-11-9 Molecular Formula: C6H5BrFN Molecular Weight (g/mol): 190.02 MDL Number: MFCD01310982 InChI Key: ALZFPYUPNVLVQM-UHFFFAOYSA-N Synonym: benzenamine, 2-bromo-6-fluoro,2-bromo-6-fluoro-phenylamine,2-bromo-6-fluorobenzenamine,2-bromo-6-fluoro-aniline,2-bromo-6-fluoro aniline,2-bromo-6-fluorophenylamine,pubchem2923,acmc-209nsu,2-bromo-6-flouroaniline,ksc493o8h PubChem CID: 2782940 IUPAC Name: 2-bromo-6-fluoroaniline SMILES: NC1=C(F)C=CC=C1Br

PubChem CID 2782940
CAS 65896-11-9
Molecular Weight (g/mol) 190.02
MDL Number MFCD01310982
SMILES NC1=C(F)C=CC=C1Br
Synonym benzenamine, 2-bromo-6-fluoro,2-bromo-6-fluoro-phenylamine,2-bromo-6-fluorobenzenamine,2-bromo-6-fluoro-aniline,2-bromo-6-fluoro aniline,2-bromo-6-fluorophenylamine,pubchem2923,acmc-209nsu,2-bromo-6-flouroaniline,ksc493o8h
IUPAC Name 2-bromo-6-fluoroaniline
InChI Key ALZFPYUPNVLVQM-UHFFFAOYSA-N
Molecular Formula C6H5BrFN
4

2-Bromo-4-nitroaniline 98.0+%, TCI America™

CAS: 13296-94-1 Molecular Formula: C6H5BrN2O2 Molecular Weight (g/mol): 217.022 MDL Number: MFCD00025152 InChI Key: CGPPWNTVTNCHDO-UHFFFAOYSA-N PubChem CID: 25840 IUPAC Name: 2-bromo-4-nitroaniline SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Br)N

PubChem CID 25840
CAS 13296-94-1
Molecular Weight (g/mol) 217.022
MDL Number MFCD00025152
SMILES C1=CC(=C(C=C1[N+](=O)[O-])Br)N
IUPAC Name 2-bromo-4-nitroaniline
InChI Key CGPPWNTVTNCHDO-UHFFFAOYSA-N
Molecular Formula C6H5BrN2O2
5

2,5-Dibromoaniline 98.0+%, TCI America™

CAS: 3638-73-1 Molecular Formula: C6H5Br2N Molecular Weight (g/mol): 250.921 MDL Number: MFCD00007636 InChI Key: WRTAZRGRFBCKBU-UHFFFAOYSA-N Synonym: 2,5-dibromobenzenamine,benzenamine, 2,5-dibromo,2,5-dibromophenylamine,rarechem fh 1w 0043,pubchem3452,2,5-dibromo-phenylamine,aniline, 2,5-dibromo,2,5-bis bromanyl aniline,acmc-209im6,2,5-dibromoaniline PubChem CID: 77198 IUPAC Name: 2,5-dibromoaniline SMILES: C1=CC(=C(C=C1Br)N)Br

PubChem CID 77198
CAS 3638-73-1
Molecular Weight (g/mol) 250.921
MDL Number MFCD00007636
SMILES C1=CC(=C(C=C1Br)N)Br
Synonym 2,5-dibromobenzenamine,benzenamine, 2,5-dibromo,2,5-dibromophenylamine,rarechem fh 1w 0043,pubchem3452,2,5-dibromo-phenylamine,aniline, 2,5-dibromo,2,5-bis bromanyl aniline,acmc-209im6,2,5-dibromoaniline
IUPAC Name 2,5-dibromoaniline
InChI Key WRTAZRGRFBCKBU-UHFFFAOYSA-N
Molecular Formula C6H5Br2N
6

2-Bromo-6-chloro-4-fluoroaniline 97.0+%, TCI America™

CAS: 201849-14-1 Molecular Formula: C6H4BrClFN Molecular Weight (g/mol): 224.46 MDL Number: MFCD00051707 InChI Key: LIBGMUMMWYKJSC-UHFFFAOYSA-N Synonym: benzenamine, 2-bromo-6-chloro-4-fluoro,pubchem2922,acmc-209f6h,attercop-chm at130703,2-bromo-4-fluoro-6-chloroaniline,2-bromo-6-chloro-4-fluoro-aniline,2-bromo-6-chloro-4-fluorophenylamine,6-bromo-2-chloro-4-fluorophenylamine,2-bromo-6-chloro-4-fluoro-phenylamine,2-bromo-6-chloro-4-fluoroaniline PubChem CID: 614401 IUPAC Name: 2-bromo-6-chloro-4-fluoroaniline SMILES: NC1=C(Cl)C=C(F)C=C1Br

PubChem CID 614401
CAS 201849-14-1
Molecular Weight (g/mol) 224.46
MDL Number MFCD00051707
SMILES NC1=C(Cl)C=C(F)C=C1Br
Synonym benzenamine, 2-bromo-6-chloro-4-fluoro,pubchem2922,acmc-209f6h,attercop-chm at130703,2-bromo-4-fluoro-6-chloroaniline,2-bromo-6-chloro-4-fluoro-aniline,2-bromo-6-chloro-4-fluorophenylamine,6-bromo-2-chloro-4-fluorophenylamine,2-bromo-6-chloro-4-fluoro-phenylamine,2-bromo-6-chloro-4-fluoroaniline
IUPAC Name 2-bromo-6-chloro-4-fluoroaniline
InChI Key LIBGMUMMWYKJSC-UHFFFAOYSA-N
Molecular Formula C6H4BrClFN
7

2,6-Dinitroaniline 95.0+%, TCI America™

CAS: 606-22-4 Molecular Formula: C6H5N3O4 Molecular Weight (g/mol): 183.123 MDL Number: MFCD00007148 InChI Key: QFUSCYRJMXLNRB-UHFFFAOYSA-N Synonym: benzenamine, 2,6-dinitro,2,6-dinitrobenzenamine,aniline, 2,6-dinitro,unii-8w27g0qbd7,ccris 3108,pubchem22911,wln: wnr bz cnw,acmc-209ml1,2,6-dinitroaniline,2,6-dinitro-phenyl-amine PubChem CID: 69070 IUPAC Name: 2,6-dinitroaniline SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])N)[N+](=O)[O-]

PubChem CID 69070
CAS 606-22-4
Molecular Weight (g/mol) 183.123
MDL Number MFCD00007148
SMILES C1=CC(=C(C(=C1)[N+](=O)[O-])N)[N+](=O)[O-]
Synonym benzenamine, 2,6-dinitro,2,6-dinitrobenzenamine,aniline, 2,6-dinitro,unii-8w27g0qbd7,ccris 3108,pubchem22911,wln: wnr bz cnw,acmc-209ml1,2,6-dinitroaniline,2,6-dinitro-phenyl-amine
IUPAC Name 2,6-dinitroaniline
InChI Key QFUSCYRJMXLNRB-UHFFFAOYSA-N
Molecular Formula C6H5N3O4
8

Methyl 4-Amino-3-bromobenzoate 98.0+%, TCI America™

CAS: 106896-49-5 Molecular Formula: C8H8BrNO2 Molecular Weight (g/mol): 230.06 MDL Number: MFCD01861385 InChI Key: AIUWAOALZYWQBX-UHFFFAOYSA-N Synonym: 4-amino-3-bromo-benzoic acid methyl ester,methyl4-amino-3-bromobenzoate,2-bromo-4-methoxycarbonylaniline,benzoic acid, 4-amino-3-bromo-, methyl ester,4-amino-3-bromobenzoic acid methyl ester,acmc-2098mp,methyl-4-amino-3-bromobenzoate,methyl 4-amino-3-bromo-benzoate,timtec-bb sbb012847,2-bromo-4-methoxycarbonyl aniline PubChem CID: 1515280 IUPAC Name: methyl 4-amino-3-bromobenzoate SMILES: COC(=O)C1=CC=C(N)C(Br)=C1

PubChem CID 1515280
CAS 106896-49-5
Molecular Weight (g/mol) 230.06
MDL Number MFCD01861385
SMILES COC(=O)C1=CC=C(N)C(Br)=C1
Synonym 4-amino-3-bromo-benzoic acid methyl ester,methyl4-amino-3-bromobenzoate,2-bromo-4-methoxycarbonylaniline,benzoic acid, 4-amino-3-bromo-, methyl ester,4-amino-3-bromobenzoic acid methyl ester,acmc-2098mp,methyl-4-amino-3-bromobenzoate,methyl 4-amino-3-bromo-benzoate,timtec-bb sbb012847,2-bromo-4-methoxycarbonyl aniline
IUPAC Name methyl 4-amino-3-bromobenzoate
InChI Key AIUWAOALZYWQBX-UHFFFAOYSA-N
Molecular Formula C8H8BrNO2
9

2-Bromo-4,6-difluoroaniline 98.0+%, TCI America™

CAS: 444-14-4 Molecular Formula: C6H4BrF2N Molecular Weight (g/mol): 208.01 MDL Number: MFCD00009639 InChI Key: WUJKFVGKLTWVSQ-UHFFFAOYSA-N Synonym: 2,4-difluoro-6-bromoaniline,6-bromo-2,4-difluoroaniline,2-bromo-4,6-difluoro-phenylamine,2-bromo-4,6-difluorobenzenamine,benzenamine, 2-bromo-4,6-difluoro,2-bromo-4,6-difluorophenylamine,pubchem2913,acmc-1ao2h,2-bromo4,6-difluoroaniline PubChem CID: 136285 IUPAC Name: 2-bromo-4,6-difluoroaniline SMILES: NC1=C(F)C=C(F)C=C1Br

PubChem CID 136285
CAS 444-14-4
Molecular Weight (g/mol) 208.01
MDL Number MFCD00009639
SMILES NC1=C(F)C=C(F)C=C1Br
Synonym 2,4-difluoro-6-bromoaniline,6-bromo-2,4-difluoroaniline,2-bromo-4,6-difluoro-phenylamine,2-bromo-4,6-difluorobenzenamine,benzenamine, 2-bromo-4,6-difluoro,2-bromo-4,6-difluorophenylamine,pubchem2913,acmc-1ao2h,2-bromo4,6-difluoroaniline
IUPAC Name 2-bromo-4,6-difluoroaniline
InChI Key WUJKFVGKLTWVSQ-UHFFFAOYSA-N
Molecular Formula C6H4BrF2N
10

2-Bromo-5-nitroaniline 97.0+%, TCI America™

CAS: 10403-47-1 Molecular Formula: C6H5BrN2O2 Molecular Weight (g/mol): 217.022 MDL Number: MFCD00051578 InChI Key: BAAUCXCLMDAZEL-UHFFFAOYSA-N Synonym: benzenamine, 2-bromo-5-nitro,2-bromo-5-nitrobenzenamine,3-amino-4-bromonitrobenzene,2-bromo-5-nitro-phenylamine,2-bromo-5-nitrophenylamine,pubchem21903,2-bromo 5-nitroaniline,2-bromo-5-nitro-aniline,2-bromo-5-nitro aniline,acmc-2098ai PubChem CID: 82607 IUPAC Name: 2-bromo-5-nitroaniline SMILES: C1=CC(=C(C=C1[N+](=O)[O-])N)Br

PubChem CID 82607
CAS 10403-47-1
Molecular Weight (g/mol) 217.022
MDL Number MFCD00051578
SMILES C1=CC(=C(C=C1[N+](=O)[O-])N)Br
Synonym benzenamine, 2-bromo-5-nitro,2-bromo-5-nitrobenzenamine,3-amino-4-bromonitrobenzene,2-bromo-5-nitro-phenylamine,2-bromo-5-nitrophenylamine,pubchem21903,2-bromo 5-nitroaniline,2-bromo-5-nitro-aniline,2-bromo-5-nitro aniline,acmc-2098ai
IUPAC Name 2-bromo-5-nitroaniline
InChI Key BAAUCXCLMDAZEL-UHFFFAOYSA-N
Molecular Formula C6H5BrN2O2
11

4,4'-Azoxydianisole 97.0+%, TCI America™

CAS: 1562-94-3 Molecular Formula: C14H14N2O3 Molecular Weight (g/mol): 258.277 MDL Number: MFCD00008400 InChI Key: KAEZRSFWWCTVNP-UHFFFAOYSA-N Synonym: 4,4'-azoxyanisole,p-azoxyanisole,4,4'-azoxydianisole,p-azoxydianisole,p,p'-azoxyanisole,4,4'-dimethoxyazoxybenzene,p,p'-azoxydianisole,paa liquid crystal,p,p'-dimethoxyazoxybenzene,azoxybenzene, 4,4'-dimethoxy PubChem CID: 15277 IUPAC Name: (4-methoxyphenyl)-(4-methoxyphenyl)imino-oxidoazanium SMILES: COC1=CC=C(C=C1)N=[N+](C2=CC=C(C=C2)OC)[O-]

PubChem CID 15277
CAS 1562-94-3
Molecular Weight (g/mol) 258.277
MDL Number MFCD00008400
SMILES COC1=CC=C(C=C1)N=[N+](C2=CC=C(C=C2)OC)[O-]
Synonym 4,4'-azoxyanisole,p-azoxyanisole,4,4'-azoxydianisole,p-azoxydianisole,p,p'-azoxyanisole,4,4'-dimethoxyazoxybenzene,p,p'-azoxydianisole,paa liquid crystal,p,p'-dimethoxyazoxybenzene,azoxybenzene, 4,4'-dimethoxy
IUPAC Name (4-methoxyphenyl)-(4-methoxyphenyl)imino-oxidoazanium
InChI Key KAEZRSFWWCTVNP-UHFFFAOYSA-N
Molecular Formula C14H14N2O3
12

Pendimethalin 98.0+%, TCI America™

CAS: 40487-42-1 Molecular Formula: C13H19N3O4 Molecular Weight (g/mol): 281.312 MDL Number: MFCD00055332 InChI Key: CHIFOSRWCNZCFN-UHFFFAOYSA-N Synonym: pendimethalin,pendimethaline,penoxaline,prowl,herbadox,penoxalin,phenoxalin,accotab,stomp,way up PubChem CID: 38479 ChEBI: CHEBI:83569 IUPAC Name: 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline SMILES: CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-]

PubChem CID 38479
CAS 40487-42-1
Molecular Weight (g/mol) 281.312
ChEBI CHEBI:83569
MDL Number MFCD00055332
SMILES CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-]
Synonym pendimethalin,pendimethaline,penoxaline,prowl,herbadox,penoxalin,phenoxalin,accotab,stomp,way up
IUPAC Name 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline
InChI Key CHIFOSRWCNZCFN-UHFFFAOYSA-N
Molecular Formula C13H19N3O4
13

2,4-Dinitro-5-fluoroaniline 98.0+%, TCI America™

CAS: 367-81-7 Molecular Formula: C6H4FN3O4 Molecular Weight (g/mol): 201.113 MDL Number: MFCD00007150 InChI Key: RAGRTYREMCPEIV-UHFFFAOYSA-N Synonym: 5-Fluoro-2,4-dinitroaniline PubChem CID: 73944 IUPAC Name: 5-fluoro-2,4-dinitroaniline SMILES: C1=C(C(=CC(=C1F)[N+](=O)[O-])[N+](=O)[O-])N

PubChem CID 73944
CAS 367-81-7
Molecular Weight (g/mol) 201.113
MDL Number MFCD00007150
SMILES C1=C(C(=CC(=C1F)[N+](=O)[O-])[N+](=O)[O-])N
Synonym 5-Fluoro-2,4-dinitroaniline
IUPAC Name 5-fluoro-2,4-dinitroaniline
InChI Key RAGRTYREMCPEIV-UHFFFAOYSA-N
Molecular Formula C6H4FN3O4
14

2-Bromo-4-chloro-6-fluoroaniline 98.0+%, TCI America™

CAS: 195191-47-0 Molecular Formula: C6H4BrClFN Molecular Weight (g/mol): 224.46 MDL Number: MFCD00070746 InChI Key: HBHBARSMRVAINH-UHFFFAOYSA-N Synonym: 6-bromo-4-chloro-2-fluoroaniline,2-amino-1-bromo-5-chloro-3-fluorobenzene,2-fluoro-4-chloro-6-bromoaniline,benzenamine, 2-bromo-4-chloro-6-fluoro,pubchem2916,acmc-1cbvw,2-bromo-4-chloro-6-fluoro-aniline,2-fluoro-4-chloro-6-bromo aniline,2-bromo-4-chloro-6-fluorobenzenamine,2-bromo-4-chloro-6-fluorophenylamine PubChem CID: 2736222 IUPAC Name: 2-bromo-4-chloro-6-fluoroaniline SMILES: NC1=C(Br)C=C(Cl)C=C1F

PubChem CID 2736222
CAS 195191-47-0
Molecular Weight (g/mol) 224.46
MDL Number MFCD00070746
SMILES NC1=C(Br)C=C(Cl)C=C1F
Synonym 6-bromo-4-chloro-2-fluoroaniline,2-amino-1-bromo-5-chloro-3-fluorobenzene,2-fluoro-4-chloro-6-bromoaniline,benzenamine, 2-bromo-4-chloro-6-fluoro,pubchem2916,acmc-1cbvw,2-bromo-4-chloro-6-fluoro-aniline,2-fluoro-4-chloro-6-bromo aniline,2-bromo-4-chloro-6-fluorobenzenamine,2-bromo-4-chloro-6-fluorophenylamine
IUPAC Name 2-bromo-4-chloro-6-fluoroaniline
InChI Key HBHBARSMRVAINH-UHFFFAOYSA-N
Molecular Formula C6H4BrClFN
15

3,5-Dinitroaniline 98.0+%, TCI America™

CAS: 618-87-1 Molecular Formula: C6H5N3O4 Molecular Weight (g/mol): 183.123 MDL Number: MFCD00007263 InChI Key: MPBZUKLDHPOCLS-UHFFFAOYSA-N 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
Molecular Weight (g/mol) 183.123
MDL Number MFCD00007263
SMILES C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N
IUPAC Name 3,5-dinitroaniline
InChI Key MPBZUKLDHPOCLS-UHFFFAOYSA-N
Molecular Formula C6H5N3O4