chloro(octyl)bis(propan-2-yl)silane

• ChemBase ID: 147914
• Molecular Formular: C14H31ClSi
• Molecular Mass: 262.93444
• Monoisotopic Mass: 262.1883552
• SMILES: CCCCCCCC[Si](C(C)C)(C(C)C)Cl
• Canonical SMILES: CCCCCCCC[Si](C(C)C)(C(C)C)Cl
• InChI: InChI=1S/C14H31ClSi/c1-6-7-8-9-10-11-12-16(15,13(2)3)14(4)5/h13-14H,6-12H2,1-5H3
• InChIKey: SALITQCKMBTLPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro(octyl)bis(propan-2-yl)silane
• IUPAC Traditional name: chlorodiisopropyloctylsilane
• Synonyms: Octyldiisopropylchlorosilane; Diisopropyloctylchlorosilane; Chlorodiisopropyloctylsilane; 二异丙基辛基氯硅烷; 氯二异丙基辛基硅烷

Database IDs

• CAS Number: 117559-37-2
• MDL Number: MFCD00134528
• PubChem SID: 24863762; 162242095
• PubChem CID: 4453620

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.1406
• LogD (pH = 7.4): 6.1406
• Log P: 6.1406
• Molar Refractivity: 73.95 cm^3
• Polarizability: 31.260197 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 110 °C; 230 °F
• Density: 0.875 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.455(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2987
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: 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

Product Information

• Purity: 98%
• Linear Formula: CH3(CH2)7Si[CH(CH3)2]2Cl

DETAILS

Sigma Aldrich - 380695

Packaging
25 mL in glass bottle