(3-bromopropyl)trichlorosilane

• ChemBase ID: 149427
• Molecular Formular: C3H6BrCl3Si
• Molecular Mass: 256.42824
• Monoisotopic Mass: 253.84877176
• SMILES: C(C[Si](Cl)(Cl)Cl)CBr
• Canonical SMILES: BrCCC[Si](Cl)(Cl)Cl
• InChI: InChI=1S/C3H6BrCl3Si/c4-2-1-3-8(5,6)7/h1-3H2
• InChIKey: UUNGBOQAZQUJMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-bromopropyl)trichlorosilane
• IUPAC Traditional name: (3-bromopropyl)trichlorosilane
• Synonyms: (3-Bromopropyl)trichlorosilane; (3-溴丙基)三氯硅烷

Database IDs

• CAS Number: 13883-39-1
• EC Number: 237-650-1
• MDL Number: MFCD00039291
• Beilstein Number: 1737852
• PubChem SID: 162243592; 24867399
• PubChem CID: 83792

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.7488
• LogD (pH = 7.4): 2.7488
• Log P: 2.7488
• Molar Refractivity: 41.0502 cm^3
• Polarizability: 17.877478 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 202-204 °C(lit.)
• Flash Point: 104 °F; 40 °C
• Density: 1.605 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.494(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2987
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 10-14-34
• Safety Statements: 26-28-36/37/39-45
• 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 2987 8/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: 96%
• Linear Formula: Br(CH2)3SiCl3

DETAILS

Sigma Aldrich - 437808

Packaging
5 mL in glass bottle