1,1-dichloroethene; prop-2-enenitrile

• ChemBase ID: 303729
• Molecular Formular: C5H5Cl2N
• Molecular Mass: 150.0059
• Monoisotopic Mass: 148.97990453
• SMILES: C=CC#N.C=C(Cl)Cl
• Canonical SMILES: ClC(=C)Cl.C=CC#N
• InChI: InChI=1S/C3H3N.C2H2Cl2/c1-2-3-4;1-2(3)4/h2H,1H2;1H2
• InChIKey: QLUXVUVEVXYICG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-dichloroethene; prop-2-enenitrile
• IUPAC Traditional name: acrylonitrile; vinylidene chloride
• Synonyms: Poly(vinylidene chloride-co-acrylonitrile), 80/20; 聚(偏二氯乙烯-co-丙烯腈), 80/20

Database IDs

• CAS Number: 9010-76-8
• MDL Number: MFCD00134022

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.7575628
• LogD (pH = 7.4): 0.7575628
• Log P: 0.7575628
• Molar Refractivity: 16.2707 cm^3
• Polarizability: 5.8550863 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder
• Density: 1.60

Safety Information

• European Hazard Symbols: X
• Risk Statements: 36/37/38-40
• Safety Statements: 9-16-26-36/37-45
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS08
• GHS Hazard statements: H351-H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A