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68817-71-0

68817-71-0 Structure

68817-71-0 Structure
IdentificationBack Directory
[Name]

2-AMINO-4'-CHLORODIPHENYLAMINE
[CAS]

68817-71-0
[Synonyms]

TIMTEC-BB SBB003366
2-AMINO-4'-CHLORODIPHENYLAMINE
4'-Chloro-2-aminodiphenylamine
N1-(4-Chlorophenyl)-2-amino-aniline
N-(4-Chorophenyl)-1,2-benzenediamine
N-(4-Chlorophenyl)-1,2-benzenediamone
N-(4-chlorophenyl)benzene-1,2-diamine
N-(4-CHLOROPHENYL)-1,2-BENZENEDIAMINE
N1-(4-Chlorophenyl)benzene-1,2-diaMine
N-(4-CHLOROPHENYL)-1,2-PHENYLENEDIAMINE
N-(4-chlorophenyl)-1,2-phenylinediamine
1,2-Benzenediamine, N-(4-chlorophenyl)-
1,2-Benzenediamine, N1-(4-chlorophenyl)-
N - (4-chlorobenzene) - 1,2-phenylenediamine
(2-aminophenyl)(4-chlorophenyl)amine(SALTDATA: FREE)
[EINECS(EC#)]

272-391-8
[Molecular Formula]

C12H11ClN2
[MDL Number]

MFCD00007686
[MOL File]

68817-71-0.mol
[Molecular Weight]

218.68
Chemical PropertiesBack Directory
[Melting point ]

117-119 °C(lit.)
[Boiling point ]

357.0±27.0 °C(Predicted)
[density ]

1.288±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[pka]

4.90±0.10(Predicted)
[InChI]

InChI=1S/C12H11ClN2/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8,15H,14H2
[InChIKey]

WEUBIWJPIRTWDF-UHFFFAOYSA-N
[SMILES]

C1(NC2=CC=C(Cl)C=C2)=CC=CC=C1N
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[HS Code ]

2921599090
Hazard InformationBack Directory
[Uses]

N-(4-Chlorophenyl)-1,2-phenylenediamine is a reagent in the synthesis of clofazimine analogs as antileishmanials and antiplasmodials.
[Synthesis]

To a mixture of EtOH (100 ml) and NH4C1 saturated solution (15 ml), N-(4-chlorophenyl)-2-nitrobenzenamine (5.0 g, 20.1 mmol) was added, followed by iron powder (4.0 g). The reaction mixture was heated at 70 °C for 2h. The solid was filtered, and the filtrate was extracted by EA (100 mL x 3) and dried over Na2S04. After the solvent was removed, the mixture was purified by Combi-flash (PE: EA = 5 : 1) to give N1-(4-Chlorophenyl)benzene-1,2-diamine (4.1 g, 93.2 percent) as a light yellow solid.
Spectrum DetailBack Directory
[Spectrum Detail]

2-AMINO-4'-CHLORODIPHENYLAMINE(68817-71-0)1HNMR
2-AMINO-4'-CHLORODIPHENYLAMINE(68817-71-0)IR
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