1,2-dibromo-2-methylpropane

• ChemBase ID: 150270
• Molecular Formular: C4H8Br2
• Molecular Mass: 215.91432
• Monoisotopic Mass: 213.89927426
• SMILES: CC(C)(CBr)Br
• Canonical SMILES: BrCC(Br)(C)C
• InChI: InChI=1S/C4H8Br2/c1-4(2,6)3-5/h3H2,1-2H3
• InChIKey: SDTXSEXYPROZSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dibromo-2-methylpropane
• IUPAC Traditional name: 1,2-dibromo-2-methylpropane
• Synonyms: 1,2-Dibromo-2-methylpropane; 1,2-二溴-2-甲基丙烷

Database IDs

• CAS Number: 594-34-3
• EC Number: 209-835-7
• MDL Number: MFCD00000126
• PubChem SID: 162244431; 24855144
• PubChem CID: 222657

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.568647
• LogD (pH = 7.4): 2.568647
• Log P: 2.568647
• Molar Refractivity: 35.6796 cm^3
• Polarizability: 13.929258 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 148-150 °C/763 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 1.75 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.5093(lit.)
• Vapor Pressure: 15 mmHg ( 20 °C)
• Vapor Density: 7.5 (vs air)

Safety Information

• RTECS: TX8810000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38-40
• Safety Statements: 26-37/39-45
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335-H351
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 98%
• Linear Formula: (CH3)2C(Br)CH2Br

DETAILS

Sigma Aldrich - 251623

Packaging
25 g in glass bottle