bromodimethylborane

• ChemBase ID: 153073
• Molecular Formular: C2H6BBr
• Molecular Mass: 120.78404
• Monoisotopic Mass: 119.97459259
• SMILES: B(C)(C)Br
• Canonical SMILES: CB(Br)C
• InChI: InChI=1S/C2H6BBr/c1-3(2)4/h1-2H3
• InChIKey: ABQPEYRVNHDPIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bromodimethylborane
• IUPAC Traditional name: bromodimethylborane
• Synonyms: Dimethylboron bromide; Bromodimethylborane; 二甲基溴化硼

Database IDs

• CAS Number: 5158-50-9
• MDL Number: MFCD00000053
• Beilstein Number: 1730828
• PubChem SID: 24858114; 162247213
• PubChem CID: 123224

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9873
• LogD (pH = 7.4): 1.9873
• Log P: 1.9873
• Molar Refractivity: 20.2954 cm^3
• Polarizability: 9.107724 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Melting Point: -129 °C(lit.); -129°C
• Boiling Point: 31-32 °C(lit.); 31-32°C
• Flash Point: -34.6 °F; -37°C(-35°F)
• Density: 1.238; 1.238 g/mL at 25 °C(lit.)
• Refractive Index: 1.399
• Vapor Pressure: 10.4 psi ( 20 °C)

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: UN2845
• German water hazard class: 3
• Hazard Class: 4.2
• Packing Group: I
• Risk Statements: 17-34
• Safety Statements: 16-26-27-36/37/39-45; 7-26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H224-H250-H314; H250-H314-H318
• GHS Precautionary statements: P210-P222-P231-P280-P305 + P351 + P338-P422; P210-P303+P361+P353-P305+P351+P338-P405-P422A-P501A
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 2845 4.2/PG 1
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%
• Linear Formula: (CH3)2BBr

DETAILS

Sigma Aldrich - 303305

Packaging
25 g in Sure/Seal™