1,1,3,3-tetrachloroprop-1-ene

• ChemBase ID: 78061
• Molecular Formular: C3H2Cl4
• Molecular Mass: 179.85998
• Monoisotopic Mass: 177.89106078
• SMILES: ClC(=CC(Cl)Cl)Cl
• Canonical SMILES: ClC(C=C(Cl)Cl)Cl
• InChI: InChI=1S/C3H2Cl4/c4-2(5)1-3(6)7/h1-2H
• InChIKey: XPIGFCKQOOBTLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,3,3-tetrachloroprop-1-ene
• IUPAC Traditional name: 1,1,3,3-tetrachloroprop-1-ene
• Synonyms: R-1230, 2H,3H-Perchloroprop-1-ene; 1,1,3,3-Tetrachloroprop-1-ene

Database IDs

• CAS Number: 18611-43-3
• PubChem SID: 162042894
• PubChem CID: 5324889

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.9902933
• LogD (pH = 7.4): 2.9902933
• Log P: 2.9902933
• Molar Refractivity: 45.9287 cm^3
• Polarizability: 13.652329 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Highly Flammable/Harmful