1,1,1,3,3-pentachloropropane

• ChemBase ID: 77996
• Molecular Formular: C3H3Cl5
• Molecular Mass: 216.32092
• Monoisotopic Mass: 213.8677385
• SMILES: ClC(CC(Cl)(Cl)Cl)Cl
• Canonical SMILES: ClC(CC(Cl)(Cl)Cl)Cl
• InChI: InChI=1S/C3H3Cl5/c4-2(5)1-3(6,7)8/h2H,1H2
• InChIKey: VVWFZKBKXPXGBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,3,3-pentachloropropane
• IUPAC Traditional name: 1,1,1,3,3-pentachloropropane
• Synonyms: 1,1,1,3,3-PENTACHLOROPROPANE; 240fa; 1,1,1,3,3-Pentachloropropane; 1H,2H,2H-Perchloropropane

Database IDs

• CAS Number: 23153-23-3
• MDL Number: MFCD00045255
• PubChem SID: 162042832
• PubChem CID: 3084393

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.9151776
• LogD (pH = 7.4): 2.9151776
• Log P: 2.9151776
• Molar Refractivity: 40.7727 cm^3
• Polarizability: 15.8644085 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.036

Safety Information

• Storage Warning: Flammable/Irritant

Product Information

• Purity: 95%

DETAILS

MP Biomedicals - 05223806

MP Biomedicals Rare Chemical collection