chlorodiethylpropan-2-ylsilane

• ChemBase ID: 150735
• Molecular Formular: C7H17ClSi
• Molecular Mass: 164.74838
• Monoisotopic Mass: 164.07880476
• SMILES: CC[Si](CC)(C(C)C)Cl
• Canonical SMILES: CC[Si](C(C)C)(CC)Cl
• InChI: InChI=1S/C7H17ClSi/c1-5-9(8,6-2)7(3)4/h7H,5-6H2,1-4H3
• InChIKey: OSBPGFIPLLCQMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorodiethylpropan-2-ylsilane
• IUPAC Traditional name: chlorodiethylisopropylsilane
• Synonyms: Chlorodiethylisopropylsilane; 二乙基异丙基氯硅烷

Database IDs

• CAS Number: 107149-56-4
• MDL Number: MFCD00191631
• PubChem SID: 162244896; 24871307
• PubChem CID: 4486980

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.3126
• LogD (pH = 7.4): 3.3126
• Log P: 3.3126
• Molar Refractivity: 42.03 cm^3
• Polarizability: 18.359537 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 73 °C/32 mmHg(lit.)
• Flash Point: 37 °C; 98.6 °F
• Density: 0.892 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.438(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3094
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 10-14-34
• Safety Statements: 7/8-16-26-36/37/39-43-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H261-H314
• GHS Precautionary statements: P231 + P232-P280-P305 + P351 + P338-P310-P422
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3094 8/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: 98%
• Linear Formula: (CH3)2CHSi(C2H5)2Cl

DETAILS

Sigma Aldrich - 476854

Packaging
25 mL in Sure/Seal™