(bromomethyl)(chloro)dimethylsilane

• ChemBase ID: 106889
• Molecular Formular: C3H8BrClSi
• Molecular Mass: 187.53812
• Monoisotopic Mass: 185.92671647
• SMILES: C[Si](C)(Cl)CBr
• Canonical SMILES: BrC[Si](Cl)(C)C
• InChI: InChI=1S/C3H8BrClSi/c1-6(2,5)3-4/h3H2,1-2H3
• InChIKey: CAURZYXCQQWBJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (bromomethyl)(chloro)dimethylsilane
• IUPAC Traditional name: (bromomethyl)(chloro)dimethylsilane
• Synonyms: BROMOMETHYLDIMETHYLCHLOROSILANE; (Bromomethyl)dimethylchlorosilane; BMDMCS; (Bromomethyl)chlorodimethylsilane; (溴甲基)二甲基氯硅烷

Database IDs

• CAS Number: 16532-02-8
• EC Number: 240-601-7
• MDL Number: MFCD00000503
• Beilstein Number: 1071201
• PubChem SID: 24855385; 162093468
• PubChem CID: 85476

CALCULATED PROPERTIES

• Log P: 3.078
• Molar Refractivity: 30.7163 cm^3
• Polarizability: 13.93065 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.078
• LogD (pH = 7.4): 3.078

PROPERTIES

Physical Property

• Boiling Point: 130 °C/740 mmHg(lit.)
• Flash Point: 105.8 °F; 41 °C
• Density: 1.375 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.465(lit.); n20/D 1.466
• Vapor Density: >1 (vs air)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2986
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 10-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2986 8/PG 2

Product Information

• Purity: ≥96.0% (GC); 97%
• Grade: purum
• Linear Formula: BrCH2Si(CH3)2Cl

DETAILS

MP Biomedicals - 05201781

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 254460

Packaging
25 g in ampule

Sigma Aldrich - 17615

Other Notes
Derivatizing agent for electron capture gas chromatography 1,2; Allylic bromomethylsilyl ethers allow the stereoselective introduction of a cis hydroxymethyl or methyl group via radical cyclization 3