1,2-dibromo-1,1-dichloroethane

• ChemBase ID: 295518
• Molecular Formular: C2H2Br2Cl2
• Molecular Mass: 256.75128
• Monoisotopic Mass: 253.79002942
• SMILES: C(C(Cl)(Cl)Br)Br
• Canonical SMILES: BrCC(Br)(Cl)Cl
• InChI: InChI=1S/C2H2Br2Cl2/c3-1-2(4,5)6/h1H2
• InChIKey: FIYBYNHDEOSJPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dibromo-1,1-dichloroethane
• IUPAC Traditional name: 1,2-dibromo-1,1-dichloroethane
• Synonyms: 1,2-Dibromo-1,1-dichloroethane; 1,2-二溴-1,1-二氯乙烷

Database IDs

• CAS Number: 75-81-0
• EC Number: 200-904-7
• MDL Number: MFCD00053228
• PubChem SID: 180681049
• PubChem CID: 6401

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.7470388
• LogD (pH = 7.4): 2.7470388
• Log P: 2.7470388
• Molar Refractivity: 37.0588 cm^3
• Polarizability: 14.467282 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: X
• UN Number: UN2810
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 21/22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H312-H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%