1,1,2,2,3,3-hexachloropropane

• ChemBase ID: 106827
• Molecular Formular: C3H2Cl6
• Molecular Mass: 250.76598
• Monoisotopic Mass: 247.82876614
• SMILES: ClC(Cl)C(Cl)(Cl)C(Cl)Cl
• Canonical SMILES: ClC(C(C(Cl)Cl)(Cl)Cl)Cl
• InChI: InChI=1S/C3H2Cl6/c4-1(5)3(8,9)2(6)7/h1-2H
• InChIKey: HVCSXHFGNRDDQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2,3,3-hexachloropropane
• IUPAC Traditional name: 1,1,2,2,3,3-hexachloropropane
• Synonyms: 1,1,2,2,3,3-HEXACHLOROPROPANE

Database IDs

• CAS Number: 15600-01-8
• PubChem SID: 162093395
• PubChem CID: 582658
• Chemspider ID: 506444
• Wikipedia Title: 1,1,2,2,3,3-Hexachloropropane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.405402
• LogD (pH = 7.4): 4.405402
• Log P: 4.405402
• Molar Refractivity: 45.2688 cm^3
• Polarizability: 17.828236 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 219°C
• Density: 1.73 g/cm^3

DETAILS

MP Biomedicals - 05201577

MP Biomedicals Rare Chemical collection