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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

2,4-Dinitroaniline, 99% (dry wt.), cont. up to 15% water

CAS: 97-02-9 Molecular Formula: C6H5N3O4 Molecular Weight (g/mol): 183.12 MDL Number: MFCD00007151 InChI Key: LXQOQPGNCGEELI-UHFFFAOYSA-N Synonym: benzenamine, 2,4-dinitro,1-amino-2,4-dinitrobenzene,2,4-dinitroanilin,2,4-dinitrobenzenamine,2,4-dinitroanilina,2,4-dinitraniline,2,4-dinitrophenylamine,aniline, 2,4-dinitro,2,4-dinitroaminobenzene,2,4-nitroaniline PubChem CID: 7321 ChEBI: CHEBI:34242 IUPAC Name: 2,4-dinitroaniline SMILES: NC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O

PubChem CID 7321
CAS 97-02-9
Molecular Weight (g/mol) 183.12
ChEBI CHEBI:34242
MDL Number MFCD00007151
SMILES NC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O
Synonym benzenamine, 2,4-dinitro,1-amino-2,4-dinitrobenzene,2,4-dinitroanilin,2,4-dinitrobenzenamine,2,4-dinitroanilina,2,4-dinitraniline,2,4-dinitrophenylamine,aniline, 2,4-dinitro,2,4-dinitroaminobenzene,2,4-nitroaniline
IUPAC Name 2,4-dinitroaniline
InChI Key LXQOQPGNCGEELI-UHFFFAOYSA-N
Molecular Formula C6H5N3O4
2

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
3

3,3'-Dimethoxybenzidine, 97%

CAS: 119-90-4 Molecular Formula: C14H16N2O2 Molecular Weight (g/mol): 244.29 MDL Number: MFCD00008372 InChI Key: JRBJSXQPQWSCCF-UHFFFAOYSA-N Synonym: 3,3'-dimethoxybenzidine,o-dianisidine,dianisidine,cellitazol b,neutrosel navy bn,diacel navy dc,disperse black 6,blue base nb,blue bn base,blue base irga b PubChem CID: 8411 ChEBI: CHEBI:82321 IUPAC Name: 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N

PubChem CID 8411
CAS 119-90-4
Molecular Weight (g/mol) 244.29
ChEBI CHEBI:82321
MDL Number MFCD00008372
SMILES COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N
Synonym 3,3'-dimethoxybenzidine,o-dianisidine,dianisidine,cellitazol b,neutrosel navy bn,diacel navy dc,disperse black 6,blue base nb,blue bn base,blue base irga b
IUPAC Name 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline
InChI Key JRBJSXQPQWSCCF-UHFFFAOYSA-N
Molecular Formula C14H16N2O2
4

Bromethalin, TRC

CAS: 63333-35-7 Molecular Formula: C14 H7 Br3 F3 N3 O4 Molecular Weight (g/mol): 577.93 Synonym: N-Methyl-2,4-dinitro-N-(2,4,6-tribromophenyl)-6-(trifluoromethyl)benzenamine,Bromethalin,EL 614,Rampage,Rampage (rodenticide) IUPAC Name: N-methyl-2,4-dinitro-N-(2,4,6-tribromophenyl)-6-(trifluoromethyl)aniline SMILES: CN(c1c(Br)cc(Br)cc1Br)c2c(cc(cc2C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

CAS 63333-35-7
Molecular Weight (g/mol) 577.93
SMILES CN(c1c(Br)cc(Br)cc1Br)c2c(cc(cc2C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]
Synonym N-Methyl-2,4-dinitro-N-(2,4,6-tribromophenyl)-6-(trifluoromethyl)benzenamine,Bromethalin,EL 614,Rampage,Rampage (rodenticide)
IUPAC Name N-methyl-2,4-dinitro-N-(2,4,6-tribromophenyl)-6-(trifluoromethyl)aniline
Molecular Formula C14 H7 Br3 F3 N3 O4
5

Brombuterol Hydrochloride, TRC

CAS: 21912-49-2 Molecular Formula: C12 H18 Br2 N2 O . Cl H Molecular Weight (g/mol): 402.55 Synonym: Benzenemethanol, 4-amino-3,5-dibromo-α-[[(1,1-dimethylethyl)amino]methyl]-, monohydrochloride (9CI),Benzyl alcohol, 4-amino-3,5-dibromo-α-[(tert-butylamino)methyl]-, monohydrochloride (8CI),4-Amino-3,5-dibromo-α-[(tert-butylamino)methyl]benzyl alcohol hydrochloride IUPAC Name: 1-(4-amino-3,5-dibromophenyl)-2-(tert-butylamino)ethanol;hydrochloride SMILES: Cl.CC(C)(C)NCC(O)c1cc(Br)c(N)c(Br)c1

CAS 21912-49-2
Molecular Weight (g/mol) 402.55
SMILES Cl.CC(C)(C)NCC(O)c1cc(Br)c(N)c(Br)c1
Synonym Benzenemethanol, 4-amino-3,5-dibromo-α-[[(1,1-dimethylethyl)amino]methyl]-, monohydrochloride (9CI),Benzyl alcohol, 4-amino-3,5-dibromo-α-[(tert-butylamino)methyl]-, monohydrochloride (8CI),4-Amino-3,5-dibromo-α-[(tert-butylamino)methyl]benzyl alcohol hydrochloride
IUPAC Name 1-(4-amino-3,5-dibromophenyl)-2-(tert-butylamino)ethanol;hydrochloride
Molecular Formula C12 H18 Br2 N2 O . Cl H
6

N alpha-(2,4-Dinitro-5-fluorophenyl)-L-alaninamide, TRC

CAS: 95713-52-3 Molecular Formula: C9 H9 F N4 O5 Molecular Weight (g/mol): 272.19 Synonym: (2S)-2-[(5-Fluoro-2,4-dinitrophenyl)amino]propanamide,Propanamide, 2-[(5-fluoro-2,4-dinitrophenyl)amino]-, (S)-,(2S)-2-[(5-Fluoro-2,4-dinitrophenyl)amino]propanamide,1-Fluoro-2,4-dinitrophenyl-5-L-alanine amide,FDAA,Marfey's reagent,Reagents, Marfey's IUPAC Name: (2S)-2-(5-fluoro-2,4-dinitroanilino)propanamide SMILES: C[C@H](Nc1cc(F)c(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)N

CAS 95713-52-3
Molecular Weight (g/mol) 272.19
SMILES C[C@H](Nc1cc(F)c(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)N
Synonym (2S)-2-[(5-Fluoro-2,4-dinitrophenyl)amino]propanamide,Propanamide, 2-[(5-fluoro-2,4-dinitrophenyl)amino]-, (S)-,(2S)-2-[(5-Fluoro-2,4-dinitrophenyl)amino]propanamide,1-Fluoro-2,4-dinitrophenyl-5-L-alanine amide,FDAA,Marfey's reagent,Reagents, Marfey's
IUPAC Name (2S)-2-(5-fluoro-2,4-dinitroanilino)propanamide
Molecular Formula C9 H9 F N4 O5
7

Disperse Yellow 9 (Technical Grade), TRC

CAS: 6373-73-5 Molecular Formula: C12 H10 N4 O4 Molecular Weight (g/mol): 274.23 Synonym: 1,4-Benzenediamine, N-(2,4-dinitrophenyl)- (9CI),p-Phenylenediamine, N-(2,4-dinitrophenyl)- (6CI,7CI,8CI),N1-(2,4-Dinitrophenyl)-1,4-benzenediamine,2,4-Dinitro-4'-aminodiphenylamine,4-Amino-2',4'-dinitrodiphenylamine,C.I. 10375,C.I. Disperse Yellow 9,C.I. Solvent Orange 53,Disperse Yellow 9,N-(2,4-Dinitrophenyl)-1,4-phenylenediamine,NSC 60560,SRA Golden Yellow IX,Seriplas Yellow PL,Serisol Fast Yellow PL,Serisol Fast Yellow PL 150,Solvent Orange 53,Supracet Yellow 5RD IUPAC Name: 1-N-(2,4-dinitrophenyl)benzene-1,4-diamine SMILES: Nc1ccc(Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])cc1

CAS 6373-73-5
Molecular Weight (g/mol) 274.23
SMILES Nc1ccc(Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])cc1
Synonym 1,4-Benzenediamine, N-(2,4-dinitrophenyl)- (9CI),p-Phenylenediamine, N-(2,4-dinitrophenyl)- (6CI,7CI,8CI),N1-(2,4-Dinitrophenyl)-1,4-benzenediamine,2,4-Dinitro-4'-aminodiphenylamine,4-Amino-2',4'-dinitrodiphenylamine,C.I. 10375,C.I. Disperse Yellow 9,C.I. Solvent Orange 53,Disperse Yellow 9,N-(2,4-Dinitrophenyl)-1,4-phenylenediamine,NSC 60560,SRA Golden Yellow IX,Seriplas Yellow PL,Serisol Fast Yellow PL,Serisol Fast Yellow PL 150,Solvent Orange 53,Supracet Yellow 5RD
IUPAC Name 1-N-(2,4-dinitrophenyl)benzene-1,4-diamine
Molecular Formula C12 H10 N4 O4
8

4,6-Dibromo-2,3-dichloroaniline, 98%, Thermo Scientific™

CAS: 113571-15-6 Molecular Formula: C6H3Br2Cl2N Molecular Weight (g/mol): 319.81 MDL Number: MFCD00052815 InChI Key: IPWGDMQXLGFBLC-UHFFFAOYSA-N Synonym: benzenamine,4,6-dibromo-2,3-dichloro,acmc-20amrl,4,6-dibromo-2,3-dichlorophenylamine,4,6-dibromo-2,3-dichloro-phenylamine,4,6-dibromo-2,3-dichloroaniline,4,6-bis bromanyl-2,3-bis chloranyl aniline PubChem CID: 2776953 IUPAC Name: 4,6-dibromo-2,3-dichloroaniline SMILES: NC1=C(Cl)C(Cl)=C(Br)C=C1Br

PubChem CID 2776953
CAS 113571-15-6
Molecular Weight (g/mol) 319.81
MDL Number MFCD00052815
SMILES NC1=C(Cl)C(Cl)=C(Br)C=C1Br
Synonym benzenamine,4,6-dibromo-2,3-dichloro,acmc-20amrl,4,6-dibromo-2,3-dichlorophenylamine,4,6-dibromo-2,3-dichloro-phenylamine,4,6-dibromo-2,3-dichloroaniline,4,6-bis bromanyl-2,3-bis chloranyl aniline
IUPAC Name 4,6-dibromo-2,3-dichloroaniline
InChI Key IPWGDMQXLGFBLC-UHFFFAOYSA-N
Molecular Formula C6H3Br2Cl2N