trimethyl[2-(thiophen-3-yl)ethynyl]silane

• ChemBase ID: 153016
• Molecular Formular: C9H12SSi
• Molecular Mass: 180.34208
• Monoisotopic Mass: 180.04289792
• SMILES: C[Si](C)(C)C#Cc1ccsc1
• Canonical SMILES: C[Si](C#Cc1cscc1)(C)C
• InChI: InChI=1S/C9H12SSi/c1-11(2,3)7-5-9-4-6-10-8-9/h4,6,8H,1-3H3
• InChIKey: XJUQFUWWPCIZRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl[2-(thiophen-3-yl)ethynyl]silane
• IUPAC Traditional name: trimethyl[2-(thiophen-3-yl)ethynyl]silane
• Synonyms: 3-[(Trimethylsilyl)ethynyl]thiophene; 3-三甲基硅乙炔基噻吩

Database IDs

• CAS Number: 130995-13-0
• MDL Number: MFCD04039959
• PubChem SID: 24880550; 162247156
• PubChem CID: 3654101

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7152
• LogD (pH = 7.4): 3.7152
• Log P: 3.7152
• Molar Refractivity: 43.4004 cm^3
• Polarizability: 20.004097 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 36-41 °C(lit.); 36-41°C
• Flash Point: 192.2 °F; 89 °C; 89°C(192°F)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501
• 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): C9H12SSi

DETAILS

Sigma Aldrich - 577049

Packaging
1 g in glass bottle