trichloro(3-chloropropyl)silane

• ChemBase ID: 156540
• Molecular Formular: C3H6Cl4Si
• Molecular Mass: 211.97724
• Monoisotopic Mass: 209.89928744
• SMILES: C(C[Si](Cl)(Cl)Cl)CCl
• Canonical SMILES: ClCCC[Si](Cl)(Cl)Cl
• InChI: InChI=1S/C3H6Cl4Si/c4-2-1-3-8(5,6)7/h1-3H2
• InChIKey: OOXSLJBUMMHDKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloro(3-chloropropyl)silane
• IUPAC Traditional name: trichloro(3-chloropropyl)silane
• Synonyms: (3-Chloropropyl)trichlorosilane; Trichloro(3-chloropropyl)silane; Trichloro(3-chloropropyl)silane; (3-Chloropropyl)trichlorosilane; (3-氯丙基)三氯硅烷; 氯丙基三氯硅烷; (3-氯丙基)三氯硅烷

Database IDs

• CAS Number: 2550-06-3
• EC Number: 219-844-8
• MDL Number: MFCD00013694
• Beilstein Number: 1737851
• PubChem SID: 24855745; 162250677
• PubChem CID: 75693

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.6855
• LogD (pH = 7.4): 2.6855
• Log P: 2.6855
• Molar Refractivity: 38.0667 cm^3
• Polarizability: 16.79089 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 181-183 °C(lit.); 181-183°C; 81 °C/27 mmHg(lit.)
• Flash Point: 176 °F; 80 °C; 84°C(183°F)
• Density: 1.35 g/mL at 25 °C(lit.); 1.360
• Refractive Index: 1.4675; n20/D 1.465; n20/D 1.465(lit.)

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 2987; UN2987
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 14-34
• Safety Statements: 26-36/37/39-43.1-45; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318-H227
• GHS Precautionary statements: P280-P303+P361+P353-P305+P351+P338-P310-P402+P404
• RID/ADR: UN 2987 8/PG 2

Product Information

• Purity: ≥95.0% (GC); 97%
• Linear Formula: Cl(CH2)3SiCl3