1,2-dibromo-1-chloroethane

• ChemBase ID: 158144
• Molecular Formular: C2H3Br2Cl
• Molecular Mass: 222.30622
• Monoisotopic Mass: 219.82900178
• SMILES: C(C(Cl)Br)Br
• Canonical SMILES: BrCC(Br)Cl
• InChI: InChI=1S/C2H3Br2Cl/c3-1-2(4)5/h2H,1H2
• InChIKey: DVTKTUMRXCKEEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 598-20-9
• MDL Number: MFCD00142465
• Beilstein Number: 1731853
• PubChem SID: 24862104; 162252280
• PubChem CID: 92818

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9556669
• LogD (pH = 7.4): 1.9556669
• Log P: 1.9556669
• Molar Refractivity: 31.5098 cm^3
• Polarizability: 12.461766 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Grade: analytical standard
• Quality: for the determination of vinyl chloride
• Linear Formula: CHBrClCH2Br