chlorodimethylsilane

• ChemBase ID: 126526
• Molecular Formular: C2H7ClSi
• Molecular Mass: 94.61548
• Monoisotopic Mass: 94.00055444
• SMILES: Cl[SiH](C)C
• Canonical SMILES: C[SiH](Cl)C
• InChI: InChI=1S/C2H7ClSi/c1-4(2)3/h4H,1-2H3
• InChIKey: YGHUUVGIRWMJGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorodimethylsilane
• IUPAC Traditional name: chlorodimethylsilane
• Synonyms: Dimethylchlorosilane; DMCS; Chlorodimethylsilane; Chlorodimethylsilane; 二甲基氯硅烷; 氯二甲基硅烷; 二甲基氯硅烷

Database IDs

• CAS Number: 1066-35-9
• EC Number: 213-912-0
• MDL Number: MFCD00000495
• Beilstein Number: 1633434
• PubChem SID: 24864779; 24848641; 162220858
• PubChem CID: 6327132
• Chemspider ID: 59496
• Wikipedia Title: Chlorodimethylsilane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.4057
• LogD (pH = 7.4): 0.4057
• Log P: 0.4057
• Molar Refractivity: 18.4965 cm^3
• Polarizability: 9.182883 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -111 °C; -111 °C(lit.); -111°C
• Boiling Point: 34.7 °C; 34.7 °C(lit.); 34-36°C
• Flash Point: -23 °C; -28°C(-18°F); -9.4 °F
• Density: 0.852 g/mL at 25 °C(lit.); 0.852 g/mL, 25 °C; 0.869
• Refractive Index: 1.3830; n20/D 1.382; n20/D 1.383(lit.)
• Vapor Pressure: 8.56 psi ( 20 °C)
• Vapor Density: 4 (vs air)

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F); Highly flammable (F+)
• UN Number: 2988; UN2924
• German water hazard class: 3
• Hazard Class: 3; 4.3
• Packing Group: 1; I
• Risk Statements: 11-34; 12-34
• Safety Statements: 16-26-36/37/39-45; 3-16-20-23-26-33-36/37/39-45-60
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• Explode Limits: 20 %
• GHS Hazard statements: H224-H314-H318; H225-H260-H314
• GHS Precautionary statements: P210-P223-P231 + P232-P280-P370 + P378-P422; P210-P280-P305+P351+P338-P403
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 2988 4.3/PG 1
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥95.0% (GC); 97%; 98%
• Grade: purum
• Linear Formula: (CH3)2SiHCl

DETAILS

Sigma Aldrich - 144207

Application
Used to prepare vinyldimethylsilanols for palladium-catalyzed cross-coupling with aryl iodides.1
Packaging
50 g in glass bottle

Sigma Aldrich - 39900

Other Notes
Silylating agent1

REFERENCES

• Silylating agent (see Appendix 4). With allylic and homoallylic alcohols, the products can undergo platinum or rhodium catalyzed intramolecular hydrosilylation, providing a regioselective route to 1,3-diols: J. Am. Chem. Soc., 110, 3712 (1986); Org. Synth. Coll., 9, 539 (1998):