trichloro(2-methylpropyl)silane

• ChemBase ID: 136940
• Molecular Formular: C4H9Cl3Si
• Molecular Mass: 191.55876
• Monoisotopic Mass: 189.95390986
• SMILES: CC(C)C[Si](Cl)(Cl)Cl
• Canonical SMILES: CC(C[Si](Cl)(Cl)Cl)C
• InChI: InChI=1S/C4H9Cl3Si/c1-4(2)3-8(5,6)7/h4H,3H2,1-2H3
• InChIKey: GBXOGFTVYQSOID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloro(2-methylpropyl)silane
• IUPAC Traditional name: trichloro(2-methylpropyl)silane
• Synonyms: Trichloro(isobutyl)silane; Isobutyltrichlorosilane; 三氯(异丁基)硅烷; 异丁基三氯硅烷

Database IDs

• CAS Number: 18169-57-8
• EC Number: 242-053-4
• MDL Number: MFCD00053185
• Beilstein Number: 1736247
• PubChem SID: 24869816; 162231207
• PubChem CID: 87489

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1437
• LogD (pH = 7.4): 3.1437
• Log P: 3.1437
• Molar Refractivity: 37.6022 cm^3
• Polarizability: 16.65381 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 140 °C(lit.)
• Flash Point: 37 °C; 98.6 °F
• Density: 1.15 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.435(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 1747
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 10-14-34
• Safety Statements: 16-26-36/37/39-45
• 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 1747 8/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: 98%
• Linear Formula: (CH3)2CHCH2SiCl3