4-Chloro-n1-phenylbenzene-1,2-diamine

Base Information

• Chemical Name: 4-Chloro-n1-phenylbenzene-1,2-diamine
• CAS No.: 42837-74-1
• Molecular Formula: C12H11 Cl N2
• Molecular Weight: 218.686
• Hs Code.: 2921590090
• European Community (EC) Number: 833-054-6
• NSC Number: 100753
• DSSTox Substance ID: DTXSID80295250
• Wikidata: Q82035068
• Mol file: 42837-74-1.mol

Synonyms:4-chloro-n1-phenylbenzene-1,2-diamine;2-Amino-4-chlorodiphenylamine;42837-74-1;4-chloro-1-N-phenylbenzene-1,2-diamine;NSC100753;2-Amino4-chlorodiphenylamine;SCHEMBL8550702;DTXSID80295250;LKEGCXYQDMPMDD-UHFFFAOYSA-N;AKOS009281889;NSC-100753;AC-11527;EN300-6736213;Z367654980

Chemical Property of 4-Chloro-n1-phenylbenzene-1,2-diamine

Chemical Property:

• Vapor Pressure: 2.13E-05mmHg at 25°C
• Melting Point: 74-78 °C
• Boiling Point: 361°Cat760mmHg
• PKA: 3.76±0.10(Predicted)
• Flash Point: 172.1°C
• PSA: 38.05000
• Density: 1.288g/cm³
• LogP: 4.32000
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 218.0610761
• Heavy Atom Count: 15
• Complexity: 192

Purity/Quality:

99% ^*data from raw suppliers

2-CHLORO-4-AMINODIPHENYLAMINO 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC2=C(C=C(C=C2)Cl)N

Technology Process of 4-Chloro-n1-phenylbenzene-1,2-diamine

There total 10 articles about 4-Chloro-n1-phenylbenzene-1,2-diamine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

N-(4-chloro-2-nitrophenyl)benzenamine (16611-15-7) → 4-chloro-N1-phenylbenzene-1,2-diamine (42837-74-1)

Guidance literature:

With iron; ammonium chloride; In ethanol; water; for 6h; Reflux;

DOI:10.1016/j.poly.2014.07.015

Reference yield:

2,5-dichloronitrobenzene (89-61-2) → 4-chloro-N1-phenylbenzene-1,2-diamine (42837-74-1)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium acetate

2: tin dichloride; hydrochloric acid

With hydrogenchloride; sodium acetate; tin(ll) chloride;

Reference yield:

aniline (62-53-3) → 4-chloro-N1-phenylbenzene-1,2-diamine (42837-74-1)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium acetate

2: tin dichloride; hydrochloric acid

With hydrogenchloride; sodium acetate; tin(ll) chloride;

upstream raw materials:

N-(4-chloro-2-nitrophenyl)benzenamine

hydrogenchloride

ethanol

2-fluoro-5-chloronitrobenzene

Downstream raw materials:

3-Amino-7-chloro-5-(3-methyl-butyl)-1-phenyl-1,5-dihydro-benzo[b][1,4]diazepine-2,4-dione

7-Chloro-5-(3-methyl-butyl)-1-phenyl-3-(phenyl-hydrazono)-1,5-dihydro-benzo[b][1,4]diazepine-2,4-dione

Refernces

• 1、 Gao, Yuqi,Guo, Lei,Huang, Yi-You,Lai, Zengwei,Li, Xiangmin,Li, Zhe,Luo, Hai-Bin,Wu, Deyan,Wu, Yinuo,Yu, Yan-Fa,Zhang, Chen,Zhang, Sirui,Zhou, Qian. "Discovery and Optimization of Chromone Derivatives as Novel Selective Phosphodiesterase 10 Inhibitors". . . Retrieved 2020/03/24.
• 2、 Zhang, Xiao-Xiao,Jin, Hong,Deng, Yuan-Jie,Gao, Xu-Heng,Li, Yong,Zhao, Yong-Tian,Tao, Ke,Hou, Tai-Ping. "Synthesis and biological evaluation of novel pyrazole carboxamide with diarylamine-modi?ed scaffold as potent antifungal agents". . p. 1731 - 1736. Retrieved 2017/07/27.