2-Chloro-alpha-nitrocinnamonitrile

Base Information

• Chemical Name: 2-Chloro-alpha-nitrocinnamonitrile
• CAS No.: 100908-77-8
• Molecular Formula: C9H5 Cl N2 O2
• Molecular Weight: 208.6
• Nikkaji Number: J75.284C
• Wikidata: Q76327242
• Mol file: 100908-77-8.mol

Synonyms:2-Chloro-alpha-nitrocinnamonitrile;100908-77-8;3-(2-chlorophenyl)-2-nitroprop-2-enenitrile;(Z)-3-(2-chlorophenyl)-2-nitroprop-2-enenitrile;CINNAMONITRILE, 2-CHLORO-alpha-NITRO-;beta-(o-Chlorophenyl)-alpha-nitroacrylonitrile;2-Propenenitrile, 3-(2-chlorophenyl)-2-nitro-;3-(2-Chlorophenyl)-2-nitropropenenitrile;LS-54226

Chemical Property of 2-Chloro-alpha-nitrocinnamonitrile

Chemical Property:

• Vapor Pressure: 0.000119mmHg at 25°C
• Boiling Point: 335.5°Cat760mmHg
• Flash Point: 156.7°C
• PSA: 69.61000
• Density: 1.406g/cm³
• LogP: 3.00438
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 208.0039551
• Heavy Atom Count: 14
• Complexity: 300

Purity/Quality:

2-CHLORO-ALPHA-NITROCINNAMONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C=C(C#N)[N+](=O)[O-])Cl
• Isomeric SMILES: C1=CC=C(C(=C1)/C=C(/C#N)\[N+](=O)[O-])Cl