butyltrichlorosilane

• ChemBase ID: 141295
• Molecular Formular: C4H9Cl3Si
• Molecular Mass: 191.55876
• Monoisotopic Mass: 189.95390986
• SMILES: CCCC[Si](Cl)(Cl)Cl
• Canonical SMILES: CCCC[Si](Cl)(Cl)Cl
• InChI: InChI=1S/C4H9Cl3Si/c1-2-3-4-8(5,6)7/h2-4H2,1H3
• InChIKey: FQEKAFQSVPLXON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butyltrichlorosilane
• IUPAC Traditional name: butyl trichloro silane
• Synonyms: n-Butyltrichlorosilane; Butyltrichlorosilane; 正丁基三氯硅烷; 丁基三氯硅烷

Database IDs

• CAS Number: 7521-80-4
• EC Number: 231-381-3
• MDL Number: MFCD00013605
• Beilstein Number: 1736032
• PubChem SID: 162235529; 24846678; 24885477
• PubChem CID: 24142

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1372
• LogD (pH = 7.4): 3.1372
• Log P: 3.1372
• Molar Refractivity: 37.7316 cm^3
• Polarizability: 16.653803 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: liquid
• Boiling Point: 142-143°C; 149 °C(lit.)
• Flash Point: 113 °F; 45 °C; 45°C(113°F)
• Density: 1.16 g/mL at 25 °C(lit.); 1.160
• Refractive Index: 1.4370; n20/D 1.437(lit.)

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: VV2080000
• European Hazard Symbols: Corrosive (C)
• UN Number: 1747; UN1747
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 10-14-34
• Safety Statements: 26-36/37/39-45; 8-26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302-H314; H314-H318-H226
• GHS Precautionary statements: P280-P303+P361+P353-P305+P351+P338-P310-P402+P404; 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 1747 8/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: ≥98%; 97+%; 99%
• Grade: deposition grade
• Linear Formula: CH3(CH2)3SiCl3

DETAILS

Sigma Aldrich - 104825

Packaging
25 mL in glass bottle

Sigma Aldrich - 679224

Packaging
50 g in glass bottle