trichloro(prop-2-en-1-yl)silane

• ChemBase ID: 106846
• Molecular Formular: C3H5Cl3Si
• Molecular Mass: 175.5163
• Monoisotopic Mass: 173.92260973
• SMILES: Cl[Si](Cl)(Cl)CC=C
• Canonical SMILES: C=CC[Si](Cl)(Cl)Cl
• InChI: InChI=1S/C3H5Cl3Si/c1-2-3-7(4,5)6/h2H,1,3H2
• InChIKey: HKFSBKQQYCMCKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloro(prop-2-en-1-yl)silane
• IUPAC Traditional name: allytrichlorosilane
• Synonyms: ALLYL TRICHLORO SILANE; Allyltrichlorosilane; 烯丙基三氯硅烷

Database IDs

• CAS Number: 107-37-9
• EC Number: 203-485-9
• MDL Number: MFCD00000486
• Beilstein Number: 1743449
• PubChem SID: 24846779; 162094534
• PubChem CID: 7867

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.6704
• LogD (pH = 7.4): 2.6704
• Log P: 2.6704
• Molar Refractivity: 33.0207 cm^3
• Polarizability: 14.59278 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 116 °C/750 mmHg(lit.); 117-118°C
• Flash Point: 18 °C; 18°C(64°F); 64.4 °F
• Density: 1.211; 1.211 g/mL at 25 °C(lit.)
• Refractive Index: 1.4490; n20/D 1.443; n20/D 1.443(lit.)
• Vapor Pressure: 10 mmHg ( 16.1 °C)
• Vapor Density: >1 (vs air)

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: VV1530000
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 1724; UN1724
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 11-14-34; 11-34; R:9-10-34
• Safety Statements: 16-26-33-36/37/39-43-45; 26-36/37/39-45; S:16-17-27/28-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314; H225-H314-H318
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-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 1724 8/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥95% (GC); 95%
• Grade: technical
• Linear Formula: H2C=CHCH2SiCl3

DETAILS

MP Biomedicals - 05201627

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 107778

Packaging
5, 25 g in glass bottle

REFERENCES

• Allyltrichlorosilanes react with aldehydes in DMF without a catalyst to give high yields of the corresponding homoallylic alcohols, for example allyltrichlorosilane with benzaldehyde gives 1-phenyl-3-buten-1-ol and with cinnamaldehyde gives 1-phenyl-1,5-hexadien-3-ol, both in high yield: Tetrahedron Lett., 34, 3453 (1993); J. Org. Chem., 59, 6620 (1994).