(3,4-dihydronaphthalen-1-yloxy)trimethylsilane

• ChemBase ID: 148821
• Molecular Formular: C13H18OSi
• Molecular Mass: 218.36692
• Monoisotopic Mass: 218.11269173
• SMILES: C[Si](C)(C)OC1=CCCc2c1cccc2
• Canonical SMILES: C[Si](OC1=CCCc2c1cccc2)(C)C
• InChI: InChI=1S/C13H18OSi/c1-15(2,3)14-13-10-6-8-11-7-4-5-9-12(11)13/h4-5,7,9-10H,6,8H2,1-3H3
• InChIKey: CAUIWDWUUCGKBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,4-dihydronaphthalen-1-yloxy)trimethylsilane
• IUPAC Traditional name: (3,4-dihydronaphthalen-1-yloxy)trimethylsilane
• Synonyms: (3,4-Dihydro-1-naphthyloxy)trimethylsilane; (3,4-二氢-1-萘氧基)三甲基硅烷

Database IDs

• CAS Number: 38858-72-9
• MDL Number: MFCD03093969
• PubChem SID: 162242995; 24878464
• PubChem CID: 4245325

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4739
• LogD (pH = 7.4): 3.4739
• Log P: 3.4739
• Molar Refractivity: 62.675 cm^3
• Polarizability: 25.880516 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 63-65 °C/0.01 mmHg(lit.)
• Flash Point: 110 °C; 230 °F
• Density: 0.983 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.5287(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%
• Empirical Formula (Hill Notation): C13H18OSi

DETAILS

Sigma Aldrich - 540390

Packaging
5 g in glass bottle