1,1-Dichloro-1-nitroethane

Base Information

• Chemical Name: 1,1-Dichloro-1-nitroethane
• CAS No.: 594-72-9
• Molecular Formula: C2H3 Cl2 N O2
• Molecular Weight: 143.957
• European Community (EC) Number: 209-854-0
• ICSC Number: 0434
• NSC Number: 6283
• UN Number: 2650
• UNII: 1GV6MXB8TD
• DSSTox Substance ID: DTXSID4021638
• Nikkaji Number: J6.776H
• Wikidata: Q20965319
• ChEMBL ID: CHEMBL3182972
• Mol file: 594-72-9.mol

Synonyms:1,1-dichloro-1-nitroethane

Chemical Property of 1,1-Dichloro-1-nitroethane

Chemical Property:

• Appearance/Colour: COLOURLESS LIQUID , WITH PUNGENT ODOUR.
• Vapor Pressure: 13.3mmHg at 25°C
• Refractive Index: 1.6100 (estimate)
• Boiling Point: 123.5 °C at 760 mmHg
• Flash Point: 31.7 °C
• PSA: 45.82000
• Density: 1.481 g/cm³
• LogP: 1.93760
• Water Solubility.: 4.975g/L(20 oC)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 142.9540837
• Heavy Atom Count: 7
• Complexity: 86.2
• Transport DOT Label: Poison

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Strong irritant. TLV: 2 ppm.
• Hazard Codes: T
• Statements: 23/24/25
• Safety Statements: 26-45

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitros, Aliphatic
• Canonical SMILES: CC([N+](=O)[O-])(Cl)Cl
• Inhalation Risk: A harmful contamination of the air will be reached quickly on evaporation of this substance at 20 °C; on spraying or dispersing, however, much faster.
• Effects of Short Term Exposure: The substance is irritating to the eyes, skin and respiratory tract. Inhalation of the vapour may cause lung oedema.
• Uses: Fumigant insecticide

Technology Process of 1,1-Dichloro-1-nitroethane

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

Nitroethane (79-24-3) → 1,1-dichloro-1-nitroethane (594-72-9)

Guidance literature:

With sodium hypochlorite;

Reference yield: 56.0%

methanol (67-56-1) + 1,1-dichloro-1-nitroethane (594-72-9) + sodium methylate (124-41-4) → Trimethyl orthoacetate (1445-45-0)

Guidance literature:

Irradiation;

DOI:10.1039/C39880000196

Reference yield:

1,1-dichloro-1-nitroethane (594-72-9) → 1-Chloro-1,1-difluoroethane (75-68-3)

Guidance literature:

With antimony dichloride trifluoride; hydrogen fluoride;

upstream raw materials:

Nitroethane

Downstream raw materials:

1-Chloro-1,1-difluoroethane

Trimethyl orthoacetate

1,1,1-trichloroethane