(chloromethyl)dimethylpentylsilane

• ChemBase ID: 158468
• Molecular Formular: C8H19ClSi
• Molecular Mass: 178.77496
• Monoisotopic Mass: 178.09445482
• SMILES: CCCCC[Si](C)(C)CCl
• Canonical SMILES: CCCCC[Si](CCl)(C)C
• InChI: InChI=1S/C8H19ClSi/c1-4-5-6-7-10(2,3)8-9/h4-8H2,1-3H3
• InChIKey: CNHIYZYDLVDMQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (chloromethyl)dimethylpentylsilane
• IUPAC Traditional name: (chloromethyl)dimethylpentylsilane
• Synonyms: (Chloromethyl)dimethyl-pentylsilane; (氯甲基)二甲基戊硅烷

Database IDs

• CAS Number: 73013-39-5
• MDL Number: MFCD00674506
• Beilstein Number: 1847349
• PubChem SID: 162252604; 24855118
• PubChem CID: 2757680

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.5532
• LogD (pH = 7.4): 4.5532
• Log P: 4.5532
• Molar Refractivity: 45.2074 cm^3
• Polarizability: 20.208708 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 75-76 °C/22 mmHg(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3265
• 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 3265 8/PG 2

Product Information

• Purity: ≥97.0% (GC)
• Grade: purum
• Empirical Formula (Hill Notation): C8H19ClSi