(5-chloropent-4-yn-1-yl)triethylsilane

• ChemBase ID: 139414
• Molecular Formular: C11H21ClSi
• Molecular Mass: 216.82294
• Monoisotopic Mass: 216.11010488
• SMILES: CC[Si](CC)(CC)CCCC#CCl
• Canonical SMILES: ClC#CCCC[Si](CC)(CC)CC
• InChI: InChI=1S/C11H21ClSi/c1-4-13(5-2,6-3)11-9-7-8-10-12/h4-7,9,11H2,1-3H3
• InChIKey: FSIHCPBZDDYUOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-chloropent-4-yn-1-yl)triethylsilane
• IUPAC Traditional name: (5-chloropent-4-yn-1-yl)triethylsilane
• Synonyms: 1-Chloro-5-triethylsilyl-1-pentyne; 1-氯-5-三乙基硅基-1-戊炔

Database IDs

• CAS Number: 892156-07-9
• MDL Number: MFCD07784340
• PubChem SID: 24881602; 162233662
• PubChem CID: 16217488

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.2144
• LogD (pH = 7.4): 4.2144
• Log P: 4.2144
• Molar Refractivity: 58.1285 cm^3
• Polarizability: 24.658869 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 244-245 °C
• Flash Point: 101 °C; 213.8 °F
• Density: 0.903 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.468(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): C11H21ClSi

DETAILS

Sigma Aldrich - 595799

Packaging
5 g in glass bottle