(Z)-1-Nitro-3,3,3-trifluoro-1-propene

Base Information

• Chemical Name: (Z)-1-Nitro-3,3,3-trifluoro-1-propene
• CAS No.: 371-96-0
• Molecular Formula: C3H2 F3 N O2
• Molecular Weight: 141.05
• Hs Code.: 2904909090
• NSC Number: 3632
• Nikkaji Number: J2.261.987J
• Mol file: 371-96-0.mol

Synonyms:(Z)-1-Nitro-3,3,3-trifluoro-1-propene;371-96-0;NSC3632;(Z)-3,3,3-trifluoro-1-nitroprop-1-ene;SCHEMBL17707928;NSC-3632

Chemical Property of (Z)-1-Nitro-3,3,3-trifluoro-1-propene

Chemical Property:

• Vapor Pressure: 3.79mmHg at 25°C
• Boiling Point: 156.1°Cat760mmHg
• Flash Point: 48.2°C
• PSA: 45.82000
• Density: 1.398g/cm³
• LogP: 1.86230
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 141.00376279
• Heavy Atom Count: 9
• Complexity: 133

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=C[N+](=O)[O-])C(F)(F)F
• Isomeric SMILES: C(=C\[N+](=O)[O-])\C(F)(F)F

Technology Process of (Z)-1-Nitro-3,3,3-trifluoro-1-propene

There total 5 articles about (Z)-1-Nitro-3,3,3-trifluoro-1-propene 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: 76.0%

1,1,1-trifluoro-3-nitro-2-propanol (453-35-0) → (E)-3,3,3-trifluoro-1-nitroprop-1-ene (371-96-0,37468-00-1)

Guidance literature:

With phosphorus pentoxide; under 760.051 Torr;

DOI:10.1134/S1070428016100018

Reference yield: 62.0%

nitromethane (75-52-5) + 2,2,2-trifluoro-1,1-ethanediol (421-53-4) → (E)-3,3,3-trifluoro-1-nitroprop-1-ene (371-96-0,37468-00-1)

Guidance literature:

nitromethane; 2,2,2-trifluoro-1,1-ethanediol; With sodium carbonate; In water; at 20 - 60 ℃;

With phosphorus pentoxide; In diethyl ether;

DOI:10.1021/acs.orglett.1c00497

Reference yield:

β-carboxynitroethylene (6214-30-8) → (E)-3,3,3-trifluoro-1-nitroprop-1-ene (371-96-0,37468-00-1)

Guidance literature:

With sulfur tetrafluoride; boron trifluoride; at 80 ℃; for 8h;

DOI:10.1016/0040-4020(70)80010-2

upstream raw materials:

1,1,1-trifluoro-3-nitro-2-propanol

β-carboxynitroethylene

nitromethane

2,2,2-Trifluoroacetaldehyde

Downstream raw materials:

C₇H₄⁽²⁾H₄F₃NO₂

3-nitro-2-(3-trifluoromethylphenyl)amino-1,1,1-trifluoropropane

2-(2-trifluoromethyl-1-nitroethyl)cyclopentanone

2-(2-trifluoromethyl-1-nitropropyl)cyclohexanone