{2-[(1S,4S)-bicyclo[2.2.1]hept-5-en-2-yl]ethyl}(chloro)dimethylsilane

• ChemBase ID: 146556
• Molecular Formular: C11H19ClSi
• Molecular Mass: 214.80706
• Monoisotopic Mass: 214.09445482
• SMILES: C[Si](C)(CCC1C[C@H]2C[C@@H]1C=C2)Cl
• Canonical SMILES: C[Si](CCC1C[C@H]2C[C@@H]1C=C2)(Cl)C
• InChI: InChI=1S/C11H19ClSi/c1-13(2,12)6-5-11-8-9-3-4-10(11)7-9/h3-4,9-11H,5-8H2,1-2H3/t9-,10+,11?/m1/s1
• InChIKey: UFEKKYNQUHJSEC-JKIOLJMWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[(1S,4S)-bicyclo[2.2.1]hept-5-en-2-yl]ethyl}(chloro)dimethylsilane
• IUPAC Traditional name: {2-[(1S,4S)-bicyclo[2.2.1]hept-5-en-2-yl]ethyl}(chloro)dimethylsilane
• Synonyms: 5-Norbornen-2-yl(ethyl)chlorodimethylsilane, mixture of endo and exo; 5-降冰片烯-2-基(乙基)二甲基氯硅烷，内型和外形混合物

Database IDs

• CAS Number: 120543-78-4
• MDL Number: MFCD03094012
• PubChem SID: 24878727; 162240750
• PubChem CID: 71311221

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7009
• LogD (pH = 7.4): 3.7009
• Log P: 3.7009
• Molar Refractivity: 57.6824 cm^3
• Polarizability: 24.026693 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 231-232 °C(lit.)
• Flash Point: 104 °C; 219.2 °F
• Density: 0.991 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.48(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2987
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2987 8/PG 2

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C11H19ClSi

DETAILS

Sigma Aldrich - 544337

Packaging
1, 5 mL in glass bottle