Aniline, N-(2-chloroethyl)-2,4-dinitro-

Base Information

• Chemical Name: Aniline, N-(2-chloroethyl)-2,4-dinitro-
• CAS No.: 16830-65-2
• Molecular Formula: C8H8 Cl N3 O4
• Molecular Weight: 245.6198
• NSC Number: 194253
• UNII: 5Z97HY666H
• DSSTox Substance ID: DTXSID10168549
• Nikkaji Number: J60.401A
• Wikidata: Q83038168
• Mol file: 16830-65-2.mol

Synonyms:N-(2-Chloroethyl)-2,4-dinitroaniline;1-(2-Chloroethyl)amino-2,4-dinitrobenzene;N-beta-Chloroethyl-2,4-dinitroaniline;ANILINE, N-(2-CHLOROETHYL)-2,4-DINITRO-;Benzenamine, N-(2-chloroethyl)-2,4-dinitro-;16830-65-2;NSC 194253;BRN 2869002;5Z97HY666H;NSC-194253;3-12-00-01682 (Beilstein Handbook Reference);NSC194253;C8H8ClN3O4;UNII-5Z97HY666H;C8-H8-Cl-N3-O4;DTXSID10168549;LS-19653

Chemical Property of Aniline, N-(2-chloroethyl)-2,4-dinitro-

Chemical Property:

• Vapor Pressure: 3.02E-07mmHg at 25°C
• Boiling Point: 419.5°C at 760 mmHg
• Flash Point: 207.5°C
• Density: 1.53g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 245.0203334
• Heavy Atom Count: 16
• Complexity: 265

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Aniline, N-(2-chloroethyl)-2,4-dinitro-

There total 4 articles about Aniline, N-(2-chloroethyl)-2,4-dinitro- 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: 75.0%

2-chloroethanamine hydrochloride (870-24-6) + 1-chloro-2,4-dinitro-benzene (97-00-7) → N-(2-chloroethyl)-2,4-dinitrobenzenamine (16830-65-2)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 4h;

DOI:10.1002/hlca.201000253

Reference yield:

N-(2,4-dinitrophenyl)aminoethanol (1945-92-2) → N-(2-chloroethyl)-2,4-dinitrobenzenamine (16830-65-2)

Guidance literature:

With chloroform; phosphorus trichloride;

Reference yield:

1-chloro-2,4-dinitro-benzene (97-00-7) → N-(2-chloroethyl)-2,4-dinitrobenzenamine (16830-65-2)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol

2: phosphorus (III)-chloride; chloroform

With ethanol; chloroform; phosphorus trichloride;

upstream raw materials:

N-(2,4-dinitrophenyl)aminoethanol

1-chloro-2,4-dinitro-benzene

2-chloroethanamine hydrochloride

Downstream raw materials:

N’-(2,4-dinitrophenyl)-N,N-diethylethane-1,2-diamine

2'-deoxy-1-{2-[(2,4-dinitrophenyl)amino]ethyl}guanosine

3-{2-[(2,4-dinitrophenyl)amino]ethyl}thymidine

N⁽¹⁾-(2-(diethylamino)ethyl)-4-nitrobenzene-1,2-diamine