chloro(chloromethyl)dimethylsilane

• ChemBase ID: 76914
• Molecular Formular: C3H8Cl2Si
• Molecular Mass: 143.08712
• Monoisotopic Mass: 141.97723215
• SMILES: [Si](CCl)(Cl)(C)C
• Canonical SMILES: ClC[Si](Cl)(C)C
• InChI: InChI=1S/C3H8Cl2Si/c1-6(2,5)3-4/h3H2,1-2H3
• InChIKey: ITKVLPYNJQOCPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro(chloromethyl)dimethylsilane
• IUPAC Traditional name: chloro(chloromethyl)dimethylsilane
• Synonyms: CHLOROMETHYLDIMETHYLCHLOROSILANE; CMDMCS; (Chloromethyl)dimethylchlorosilane; Chloro(chloromethyl)dimethylsilane; Chloro(chloromethyl)dimethylsilane; (Chloromethyl)dimethylsilyl chloride; (Chloromethyl)dimethylchlorosilane; Silan CMM2; Chloro(chloromethyl)dimethylsilane; (氯甲基)二甲基氯代硅烷; 氯甲基二甲基氯硅烷; (氯甲基)二甲基氯硅烷

Database IDs

• CAS Number: 1719-57-9
• EC Number: 217-006-6
• MDL Number: MFCD00000875
• Beilstein Number: 1731933
• PubChem SID: 162041813; 24855113; 24853549; 24888896
• PubChem CID: 74393

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.0147
• LogD (pH = 7.4): 3.0147
• Log P: 3.0147
• Molar Refractivity: 27.7328 cm^3
• Polarizability: 12.907538 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 110-113°C; 114 °C/752 mmHg(lit.)
• Flash Point: 21°C(69°F); 22 °C; 71.6 °F
• Density: 1.082; 1.086 g/mL at 25 °C(lit.)
• Refractive Index: 1.4370; n20/D 1.437; n20/D 1.437(lit.)

Safety Information

• Storage Warning: Corrosive; Moisture Sensitive
• RTECS: VV2095000
• European Hazard Symbols: Corrosive (C)
• UN Number: 2985; UN2985
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 10-14-34; 10-14-35-37
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314-H318; H225-H314-H335
• GHS Precautionary statements: P210-P261-P280-P305 + P351 + P338-P310; P280-P303+P361+P353-P305+P351+P338-P310-P402+P404
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2985 3/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: ≥95.0% (GC); ≥98.0% (GC); 98%
• Grade: produced by Wacker; purum
• Linear Formula: ClCH2Si(CH3)2Cl

DETAILS

MP Biomedicals - 05212233

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 226181

Packaging
25, 100 g in Sure/Seal™

Sigma Aldrich - 87406

Other Notes
prices for bulk quantities on request
Packaging
250 g in glass bottle

Sigma Aldrich - 25117

Other Notes
Derivatizing agent for electron capture gas chromatography1,2; C-silylation of carbanions3

REFERENCES

• Silylating agent for the introduction of the (chloromethyl)dimethylsilyl protecting group, useful for the derivatization of steroids for GC-MS: J. Chromat., 129, 384 (1976); J. Chromat. Sci., 17, 25 (1979).
• Chemoselective N-methylation of amides has been accomplished by formation of a silaoxazoline and decomposition with CsF: Tetrahedron. Lett., 41, 4933 (2000):