1,1-Dichloro-1-nitropropane

Base Information

• Chemical Name: 1,1-Dichloro-1-nitropropane
• CAS No.: 595-44-8
• Molecular Formula: C3H5 Cl2 N O2
• Molecular Weight: 157.984
• NSC Number: 6286
• DSSTox Substance ID: DTXSID70208197
• Nikkaji Number: J134.679B
• Wikidata: Q83082297
• Mol file: 595-44-8.mol

Synonyms:1,1-DICHLORO-1-NITROPROPANE;Propane, 1,1-dichloro-1-nitro-;595-44-8;AI3-00108;NSC6286;1-dichloro-1-nitropropane;C3H5Cl2NO2;Propane,1-dichloro-1-nitro-;SCHEMBL9513461;C3-H5-Cl2-N-O2;DTXSID70208197;NSC 6286;NSC-6286

Chemical Property of 1,1-Dichloro-1-nitropropane

Chemical Property:

• Vapor Pressure: 5.57mmHg at 25°C
• Refractive Index: 1.5490 (estimate)
• Boiling Point: 142.5°Cat760mmHg
• Flash Point: 45.9°C
• PSA: 45.82000
• Density: 1.39g/cm³
• LogP: 2.32770
• Water Solubility.: 4.975g/L(20 oC)
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 156.9697338
• Heavy Atom Count: 8
• Complexity: 97.9

Purity/Quality:

99% ^*data from raw suppliers

1,1-DICHLORO-1-NITROPROPANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC([N+](=O)[O-])(Cl)Cl

Technology Process of 1,1-Dichloro-1-nitropropane

There total 3 articles about 1,1-Dichloro-1-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:

1-Nitropropane (108-03-2) → 1-chloro-1-nitropropane (600-25-9) + 1,1-dichloro-1-nitropropane (595-44-8)

Guidance literature:

With sodium hydroxide; sodium chloride; In dichloromethane; water; at 8 - 10 ℃; Electrochemical reaction;

DOI:10.1007/s11172-006-0007-7

Reference yield:

1-chloro-1-nitropropane (600-25-9) → 1,1-dichloro-1-nitropropane (595-44-8)

Guidance literature:

With sodium hydroxide; chlorine;

Reference yield:

1-Nitropropane (108-03-2) → 1,1-dichloro-1-nitropropane (595-44-8)

Guidance literature:

With sodium hydroxide; chlorine;

upstream raw materials:

1-chloro-1-nitropropane

1-Nitropropane

Refernces