2-chlorophenoxytrimethylsilane

• ChemBase ID: 149835
• Molecular Formular: C9H13ClOSi
• Molecular Mass: 200.73742
• Monoisotopic Mass: 200.04241925
• SMILES: C[Si](C)(C)Oc1ccccc1Cl
• Canonical SMILES: Clc1ccccc1O[Si](C)(C)C
• InChI: InChI=1S/C9H13ClOSi/c1-12(2,3)11-9-7-5-4-6-8(9)10/h4-7H,1-3H3
• InChIKey: NZLHRQHCIXYIMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chlorophenoxytrimethylsilane
• IUPAC Traditional name: 2-chlorophenoxytrimethylsilane
• Synonyms: (2-Chlorophenoxy)trimethylsilane; (2-氯苯氧基)三甲基硅烷

Database IDs

• CAS Number: 17881-65-1
• MDL Number: MFCD00799505
• PubChem SID: 162243997; 24870660
• PubChem CID: 519487

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7697
• LogD (pH = 7.4): 3.7697
• Log P: 3.7697
• Molar Refractivity: 48.9696 cm^3
• Polarizability: 21.345625 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 202 °C(lit.)
• Flash Point: 170.6 °F; 77 °C
• Density: 1.038 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.494(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 97%
• Linear Formula: ClC6H4OSi(CH3)3

DETAILS

Sigma Aldrich - 470422

Packaging
25 mL in glass bottle