2-bromo-1-chloro-2-methylpropane

• ChemBase ID: 295570
• Molecular Formular: C4H8BrCl
• Molecular Mass: 171.46332
• Monoisotopic Mass: 169.94978994
• SMILES: CC(C)(CCl)Br
• Canonical SMILES: ClCC(Br)(C)C
• InChI: InChI=1S/C4H8BrCl/c1-4(2,5)3-6/h3H2,1-2H3
• InChIKey: YEZMNTBSGDUYBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-1-chloro-2-methylpropane
• IUPAC Traditional name: 2-bromo-1-chloro-2-methylpropane
• Synonyms: 2-Bromo-1-chloro-2-methylpropane; 2-溴-1-氯-2-甲基丙烷, 90+%.

Database IDs

• CAS Number: 2074-80-8
• MDL Number: MFCD00049143
• PubChem SID: 180681101
• PubChem CID: 137422

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.3831515
• LogD (pH = 7.4): 2.3831515
• Log P: 2.3831515
• Molar Refractivity: 32.6961 cm^3
• Polarizability: 12.806248 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 127-128°C
• Flash Point: 37°C(98°F)
• Density: 1.44
• Refractive Index: 1.4740

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: UN1993
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 90+%