1,1,2,3,3-pentachloroprop-1-ene

• ChemBase ID: 107639
• Molecular Formular: C3HCl5
• Molecular Mass: 214.30504
• Monoisotopic Mass: 211.85208843
• SMILES: ClC(Cl)C(=C(Cl)Cl)Cl
• Canonical SMILES: ClC(C(=C(Cl)Cl)Cl)Cl
• InChI: InChI=1S/C3HCl5/c4-1(2(5)6)3(7)8/h2H
• InChIKey: MAXQCYDCBHPIAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,3,3-pentachloroprop-1-ene
• IUPAC Traditional name: 1,1,2,3,3-pentachloroprop-1-ene
• Synonyms: 1,1,2,2,3,3-PENTACHLOROPROPANE

Database IDs

• CAS Number: 1600-37-9
• EC Number: 216-492-7
• PubChem SID: 162094839
• PubChem CID: 15338

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.2270563
• LogD (pH = 7.4): 3.2270563
• Log P: 3.2270563
• Molar Refractivity: 50.6449 cm^3
• Polarizability: 15.634121 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 198°C

Safety Information

• RTECS: UD1780000

DETAILS

MP Biomedicals - 05204427

MP Biomedicals Rare Chemical collection