1-bromo-1-chloroethane

• ChemBase ID: 301898
• Molecular Formular: C2H4BrCl
• Molecular Mass: 143.41016
• Monoisotopic Mass: 141.91848981
• SMILES: CC(Cl)Br
• Canonical SMILES: CC(Br)Cl
• InChI: InChI=1S/C2H4BrCl/c1-2(3)4/h2H,1H3
• InChIKey: QMSVNDSDEZTYAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-1-chloroethane
• IUPAC Traditional name: 1-bromo-1-chloroethane
• Synonyms: 1-Bromo-1-chloroethane; 1-溴-1-氯乙烷

Database IDs

• CAS Number: 593-96-4
• EC Number: 209-820-5
• MDL Number: MFCD00018842
• Beilstein Number: 1730843

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.2200626
• LogD (pH = 7.4): 1.2200626
• Log P: 1.2200626
• Molar Refractivity: 24.0972 cm^3
• Polarizability: 9.281065 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 82-83°C
• Density: 1.667
• Refractive Index: 1.4660

Safety Information

• European Hazard Symbols: X
• UN Number: UN2810
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H331-H302-H312-H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%