chloro(3-chloropropyl)dimethylsilane

• ChemBase ID: 152157
• Molecular Formular: C5H12Cl2Si
• Molecular Mass: 171.14028
• Monoisotopic Mass: 170.00853228
• SMILES: C[Si](C)(CCCCl)Cl
• Canonical SMILES: ClCCC[Si](Cl)(C)C
• InChI: InChI=1S/C5H12Cl2Si/c1-8(2,7)5-3-4-6/h3-5H2,1-2H3
• InChIKey: BJLJNLUARMMMLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro(3-chloropropyl)dimethylsilane
• IUPAC Traditional name: chloro(3-chloropropyl)dimethylsilane
• Synonyms: (3-Chloropropyl)dimethylchlorosilane; Chloro(3-chloropropyl)dimethylsilane; 二甲基-3-氯丙基氯代硅烷; 3-氯丙基二甲基氯硅烷

Database IDs

• CAS Number: 10605-40-0
• EC Number: 234-234-1
• MDL Number: MFCD00042612
• Beilstein Number: 506022
• PubChem SID: 162246302; 24855872
• PubChem CID: 82765

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.7333
• LogD (pH = 7.4): 2.7333
• Log P: 2.7333
• Molar Refractivity: 37.6575 cm^3
• Polarizability: 16.550068 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 177-179 °C(lit.)
• Density: 1.046 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.450

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2987
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34-37
• 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: ≥95% (GC)
• Grade: technical
• Empirical Formula (Hill Notation): C5H12Cl2Si

DETAILS

Sigma Aldrich - 26230

Packaging
10 mL in glass bottle