2-Chloro-3-nitroaniline

Base Information

• Chemical Name: 2-Chloro-3-nitroaniline
• CAS No.: 3970-41-0
• Molecular Formula: C6H5 Cl N2 O2
• Molecular Weight: 172.571
• Hs Code.: 2921420090
• DSSTox Substance ID: DTXSID80557542
• Nikkaji Number: J140.778C
• Wikidata: Q82439492
• Mol file: 3970-41-0.mol

Synonyms:2-Chloro-3-nitroaniline;3970-41-0;2-CHLORO-3-NITROBENZENAMINE;MFCD00800473;m-Nitroanilin-Chlorid;3-nitro-2-chloroaniline;SCHEMBL532321;DTXSID80557542;CS-B1097;AKOS006271436;DS-15685;SY043218;EN300-101023;J-508678

Chemical Property of 2-Chloro-3-nitroaniline

Chemical Property:

• Melting Point: 95-96 °C
• Boiling Point: 318.2±22.0 °C(Predicted)
• PKA: 0.51±0.10(Predicted)
• PSA: 71.84000
• Density: 1.494±0.06 g/cm3(Predicted)
• LogP: 2.93480
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 172.0039551
• Heavy Atom Count: 11
• Complexity: 159

Purity/Quality:

99.90% ^*data from raw suppliers

2-Chloro-3-nitroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)N

Technology Process of 2-Chloro-3-nitroaniline

There total 6 articles about 2-Chloro-3-nitroaniline 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: 77.0%

3-nitro-aniline (99-09-2) → 2-chloro-3-nitroaniline (3970-41-0)

Guidance literature:

With N-chloro-succinimide; In N,N-dimethyl-formamide; at 25 - 75 ℃; for 1h;

DOI:10.1055/s-0031-1289732

Reference yield: 62.0%

1-chloro-2,6-dinitrobenzene (606-21-3) → 2-chloro-3-nitroaniline (3970-41-0)

Guidance literature:

With iron; acetic acid; for 2.5h; Heating;

DOI:10.1016/S0040-4020(99)01019-4

Reference yield:

2-chloro-3-nitroaniline hydrobromide → 2-chloro-3-nitroaniline (3970-41-0)

Guidance literature:

With sodium hydrogencarbonate; In water;

upstream raw materials:

1-chloro-2,6-dinitrobenzene

2,6-dinitroaniline

3-nitro-aniline

Downstream raw materials:

2-chloro-1-isothiocyanato-3-nitrobenzene

1-bromo-2-chloro-3-nitrobenzene

(R)-N-(2-chloro-3-nitro-4-iodophenyl)-2-trimethylsilyloxy-2-methyl-3,3,3-trifluoropropanamide

(R)-N-(2-Chloro-3-nitro-4-iodophenyl)-2-hydroxy-2-methyl-3,3,3-trifluoropropanamide

Refernces

• 1、 Wei, Wei,Zhou, Shaa,Cheng, Dandan,Li, Yuxin,Liu, Jingbo,Xie, Yongtao,Li, Yonghong,Li, Zhengming. "Design, synthesis and herbicidal activity study of aryl 2,6-disubstituted sulfonylureas as potent acetohydroxyacid synthase inhibitors". supporting information. p. 3365 - 3369. Retrieved 2017/07/07.
• 2、 Gan, Zongjie,Hu, Bin,Song, Qiao,Xu, Yungen. "Convenient chlorination of some special aromatic compounds using N-chlorosuccinimide". experimental part. p. 1074 - 1078. Retrieved 2012/05/04.