trimethyl[2-(thiophen-2-yl)ethynyl]silane

• ChemBase ID: 151139
• Molecular Formular: C9H12SSi
• Molecular Mass: 180.34208
• Monoisotopic Mass: 180.04289792
• SMILES: C[Si](C)(C)C#Cc1cccs1
• Canonical SMILES: C[Si](C#Cc1cccs1)(C)C
• InChI: InChI=1S/C9H12SSi/c1-11(2,3)8-6-9-5-4-7-10-9/h4-5,7H,1-3H3
• InChIKey: OQUBLKNISPLGJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl[2-(thiophen-2-yl)ethynyl]silane
• IUPAC Traditional name: trimethyl[2-(thiophen-2-yl)ethynyl]silane
• Synonyms: 2-[(Trimethylsilyl)ethynyl]thiophene; 2-三甲基硅乙炔基噻吩

Database IDs

• CAS Number: 40231-03-6
• MDL Number: MFCD03427125
• PubChem SID: 24879261; 162245297
• PubChem CID: 596870

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.8684
• LogD (pH = 7.4): 3.8684
• Log P: 3.8684
• Molar Refractivity: 43.1845 cm^3
• Polarizability: 20.014633 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 95-103 °C/10 mmHg(lit.)
• Flash Point: 25 °C; 77 °F
• Density: 1.09 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.549(lit.)

Safety Information

• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10
• Safety Statements: 16-26-36/37/39
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• GHS Hazard statements: H226
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C9H12SSi

DETAILS

Sigma Aldrich - 552321

Packaging
1, 5 g in glass bottle