dichloro(2-chloroethyl)methylsilane

• ChemBase ID: 139119
• Molecular Formular: C3H7Cl3Si
• Molecular Mass: 177.53218
• Monoisotopic Mass: 175.9382598
• SMILES: C[Si](CCCl)(Cl)Cl
• Canonical SMILES: ClCC[Si](Cl)(Cl)C
• InChI: InChI=1S/C3H7Cl3Si/c1-7(5,6)3-2-4/h2-3H2,1H3
• InChIKey: DBWSTBGNSJEPFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloro(2-chloroethyl)methylsilane
• IUPAC Traditional name: dichloro(2-chloroethyl)methylsilane
• Synonyms: (2-Chloroethyl)-dichloro-methylsilane; (2-Chloroethyl)methyl-dichlorosilane; Dichloro(2-chloroethyl)methylsilane; (2-氯乙基)-二氯-甲基硅烷; (2-氯乙基)甲基-二氯硅烷; 2-氯乙基甲基二氯硅烷

Database IDs

• CAS Number: 7787-85-1
• EC Number: 232-134-2
• MDL Number: MFCD00053237
• Beilstein Number: 1734992
• PubChem SID: 162233369
• PubChem CID: 82234

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.1476
• LogD (pH = 7.4): 2.1476
• Log P: 2.1476
• Molar Refractivity: 33.0107 cm^3
• Polarizability: 14.83596 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 32 °C; 89.6 °F
• Density: 1.241 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.458(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2986
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 10-34
• Safety Statements: 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 2986 8/PG 2

Product Information

• Purity: ≥95.0% (GC)
• Empirical Formula (Hill Notation): C3H7Cl3Si