1,2-dibromo-2,3-dichloropropane

• ChemBase ID: 88932
• Molecular Formular: C3H4Br2Cl2
• Molecular Mass: 270.77786
• Monoisotopic Mass: 267.80567949
• SMILES: ClCC(CBr)(Cl)Br
• Canonical SMILES: ClCC(CBr)(Br)Cl
• InChI: InChI=1S/C3H4Br2Cl2/c4-1-3(5,7)2-6/h1-2H2
• InChIKey: KKPLLXWDLWIQDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dibromo-2,3-dichloropropane
• IUPAC Traditional name: 1,2-dibromo-2,3-dichloropropane
• Synonyms: 1,2-Dibromo-2,3-dichloropropane 98%

Database IDs

• CAS Number: 70289-31-5
• PubChem SID: 162075825
• PubChem CID: 144412

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1047049
• LogD (pH = 7.4): 3.1047049
• Log P: 3.1047049
• Molar Refractivity: 40.9607 cm^3
• Polarizability: 16.168123 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 20°C/18mm

Safety Information

• Storage Warning: Irritant