chlorodimethylprop-2-en-1-ylsilane

• ChemBase ID: 109747
• Molecular Formular: C5H11ClSi
• Molecular Mass: 134.67934
• Monoisotopic Mass: 134.03185456
• SMILES: C[Si](C)(Cl)CC=C
• Canonical SMILES: C=CC[Si](Cl)(C)C
• InChI: InChI=1S/C5H11ClSi/c1-4-5-7(2,3)6/h4H,1,5H2,2-3H3
• InChIKey: KMVZWUQHMJAWSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorodimethylprop-2-en-1-ylsilane
• IUPAC Traditional name: allyl-chloro-dimethyl silane
• Synonyms: ALLYLDIMETHYLCHLOROSILANE; ADMCS; Allyldimethylchlorosilane; Allyl(chloro)dimethylsilane; ADMSCl; Allylchlorodimethylsilane; 烯丙基二甲基氯硅烷; 丙烯基氯化二甲基硅烷

Database IDs

• CAS Number: 4028-23-3
• EC Number: 223-706-2
• MDL Number: MFCD00000506
• Beilstein Number: 1737978
• PubChem SID: 162095276; 24854070; 24845885
• PubChem CID: 77646

CALCULATED PROPERTIES

• LogD (pH = 5.5): 2.7182
• LogD (pH = 7.4): 2.7182
• Log P: 2.7182
• Molar Refractivity: 32.6115 cm^3
• Polarizability: 14.437302 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0

PROPERTIES

Physical Property

• Boiling Point: 110-112°C; 111-113 °C(lit.)
• Flash Point: 42.8 °F; 5°C(41°F); 6 °C
• Density: 0.891 g/mL at 25 °C(lit.); 0.896
• Refractive Index: 1.4290; n20/D 1.427(lit.)

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2985; UN2985
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-34
• Safety Statements: 16-26-36/37/39-45; 20-26-36/37/39-45
• 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 2985 3/PG 2

Product Information

• Purity: ≥97.0% (GC); 97%
• Grade: purum
• Linear Formula: H2C=CHCH2Si(CH3)2Cl

DETAILS

MP Biomedicals - 05212417

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 234982

Packaging
10 g in glass bottle

Sigma Aldrich - 05940

Other Notes
Silylating agent for steroids for analysis by GC-MS1,2,3

REFERENCES

• Reagent for the derivatization of steroids for GC-MS: J. Chromat., 129, 384 (1976); J. Chromat. Sci., 17, 115 (1979). See Appendix 4.