1,3-dibromo-3-methylbutane

• ChemBase ID: 295612
• Molecular Formular: C5H10Br2
• Molecular Mass: 229.9409
• Monoisotopic Mass: 227.91492432
• SMILES: CC(C)(CCBr)Br
• Canonical SMILES: BrCCC(Br)(C)C
• InChI: InChI=1S/C5H10Br2/c1-5(2,7)3-4-6/h3-4H2,1-2H3
• InChIKey: XMJFMQSXQQUJTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dibromo-3-methylbutane
• IUPAC Traditional name: 1,3-dibromo-3-methylbutane
• Synonyms: 1,3-Dibromo-3-methylbutane; 1,3-二溴-3-甲基丁烷

Database IDs

• CAS Number: 24443-15-0
• MDL Number: MFCD00060773
• PubChem SID: 180681143
• PubChem CID: 141113

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.6286066
• LogD (pH = 7.4): 2.6286066
• Log P: 2.6286066
• Molar Refractivity: 40.545 cm^3
• Polarizability: 15.684 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >110°C(230°F)
• Density: 1.69

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313

Product Information

• Purity: 98%