1-Chloro-2-nitropropane

Base Information

• Chemical Name: 1-Chloro-2-nitropropane
• CAS No.: 2425-66-3
• Molecular Formula: C3H6 Cl N O2
• Molecular Weight: 123.539
• Hs Code.: 2904909090
• NSC Number: 17667
• UNII: K2GZ49H7NP
• DSSTox Substance ID: DTXSID6041264
• Nikkaji Number: J7.889A
• Wikidata: Q27281859
• Mol file: 2425-66-3.mol

Synonyms:1-Chloro-2-nitropropane;Korax; Lanstan; NIA 5961; NSC 17667; Niagara 5,961

Chemical Property of 1-Chloro-2-nitropropane

Chemical Property:

• Vapor Pressure: 1.16mmHg at 25°C
• Refractive Index: 1.4432 (estimate)
• Boiling Point: 175.2°Cat760mmHg
• PKA: 6.59±0.13(Predicted)
• Flash Point: 59.8°C
• PSA: 45.82000
• Density: 1.204g/cm³
• LogP: 1.41360
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 123.0087061
• Heavy Atom Count: 7
• Complexity: 69.8

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCl)[N+](=O)[O-]
• Uses: Chlorinated nitroparaffins are of particular interest in the manufacture of highly accelerated rubber cements and insecticides and in chemical synthesis.

Technology Process of 1-Chloro-2-nitropropane

There total 6 articles about 1-Chloro-2-nitropropane 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:

propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + chlorine (7782-50-5) → 1,2-Dichloropropane (26198-63-0,78-87-5) + 1-chloro-2-nitro-propane (2425-66-3)

Guidance literature:

at 225 - 370 ℃;

DOI:10.1021/jo01110a024

Reference yield:

2-NITROPROPANOL (2902-96-7) → 1-chloro-2-nitro-propane (2425-66-3)

Guidance literature:

With phosphorus pentachloride;

Reference yield:

propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) → 1-chloro-2-nitro-propane (2425-66-3)

Guidance literature:

With chlorine; Nitrogen dioxide; at 270 ℃;

DOI:10.1021/jo01110a024

upstream raw materials:

propene

2-NITROPROPANOL

1-(1-ethoxy-ethoxy)-2-nitro-propane

chlorine

Downstream raw materials:

2-nitropropene