1-Chloro-1-nitropropane

Base Information

• Chemical Name: 1-Chloro-1-nitropropane
• CAS No.: 600-25-9
• Molecular Formula: C3H6 Cl N O2
• Molecular Weight: 123.539
• European Community (EC) Number: 209-990-0
• ICSC Number: 1423
• NSC Number: 8409
• UN Number: 2810,1993
• UNII: 0384A8E8EX
• DSSTox Substance ID: DTXSID2024797
• Nikkaji Number: J2.728F
• Wikidata: Q20972156
• ChEMBL ID: CHEMBL1472040
• Mol file: 600-25-9.mol

Synonyms:1-CHLORO-1-NITROPROPANE;600-25-9;Propane, 1-chloro-1-nitro-;CCRIS 5997;HSDB 1543;NSC 8409;EINECS 209-990-0;BRN 1748601;UNII-0384A8E8EX;AI3-15634;DTXSID2024797;0384A8E8EX;NSC-8409;1-Klor-1-nitropropan;1-Chloro1-nitropropane;CNE (CHRIS Code);1-Cloro-1-nitropropano;WLN: WNYG2;1-chloro-1-nitro-propane;Propano, 1-cloro-1-nitro-;DTXCID304797;SCHEMBL1236221;CHEMBL1472040;CHLORONITROPROPANE [HSDB];NSC8409;Tox21_200337;AKOS006344261;LS-1432;NCGC00091869-01;NCGC00091869-02;NCGC00257891-01;CAS-600-25-9;FT-0632491;Q20972156

Chemical Property of 1-Chloro-1-nitropropane

Chemical Property:

• Vapor Pressure: 5.7mmHg at 25°C
• Refractive Index: 1.4251 (estimate)
• Boiling Point: 142°C at 760 mmHg
• PKA: 3.93±0.36(Predicted)
• Flash Point: 43°C
• PSA: 45.82000
• Density: 1.204g/cm³
• LogP: 1.76120
• Solubility.: Soluble in alcohol, ether (Weast, 1986), and many low molecular weight hydrocarbons (pentane, hexane, heptane), and halogenated hydrocarbons such as chloroform, methylene chloride, trichloroethylene.
• Water Solubility.: 6 mg/L at 20 °C (quoted, Verschueren, 1983)
• XLogP3: 1.6
• 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
• Transport DOT Label: Poison

Purity/Quality:

98%min ^*data from raw suppliers

1-CHLORO-1-NITROPROPANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Moderate fire risk. Strong irritant. TLV: 2 ppm.
• Hazard Codes: Xn
• Statements: 20/22

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Fungicides
• Canonical SMILES: CCC([N+](=O)[O-])Cl
• Inhalation Risk: A harmful contamination of the air can be reached rather quickly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is severely irritating to the eyes and respiratory tract. Inhalation of high concentrations of the vapour may cause lung oedema.
• Uses: Fungicide.

Technology Process of 1-Chloro-1-nitropropane

There total 4 articles about 1-Chloro-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-Nitropropane (108-03-2) → 1-chloro-1-nitropropane (600-25-9)

Guidance literature:

With chlorine;

Reference yield:

2-NITROPROPANOL (2902-96-7) + phosphorus pentachloride (10026-13-8,874483-75-7) → 1-chloro-1-nitropropane (600-25-9)

Guidance literature:

upstream raw materials:

1-Nitropropane

2-NITROPROPANOL

phosphorus pentachloride

Downstream raw materials:

3,4-Dinitro-3-hexene

1,1-dichloro-1-nitropropane

propenyl chloride

2-nitro-5-furyl ethyl ketone

Refernces