1,1,1,2,3,3,3-heptachloropropane

• ChemBase ID: 108995
• Molecular Formular: C3HCl7
• Molecular Mass: 285.21104
• Monoisotopic Mass: 281.78979379
• SMILES: ClC(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
• Canonical SMILES: ClC(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
• InChI: InChI=1S/C3HCl7/c4-1(2(5,6)7)3(8,9)10/h1H
• InChIKey: LZOUTMTXULWVSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,3,3,3-heptachloropropane
• IUPAC Traditional name: 1,1,1,2,3,3,3-heptachloropropane
• Synonyms: 1,1,1,2,2,3,3-HEPTACHLOROPROPANE

Database IDs

• CAS Number: 3849-33-0
• PubChem SID: 162094723
• PubChem CID: 77457

CALCULATED PROPERTIES

• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.046094
• LogD (pH = 7.4): 4.046094
• Log P: 4.046094
• Molar Refractivity: 50.8915 cm^3
• Polarizability: 19.82726 Å^3

PROPERTIES

Physical Property

• Melting Point: 11°C
• Boiling Point: 249°C
• Density: 1.7921 g/ml

DETAILS

MP Biomedicals - 05209469

MP Biomedicals Rare Chemical collection