(3-chloropropyl)trimethoxysilane

• ChemBase ID: 137227
• Molecular Formular: C6H15ClO3Si
• Molecular Mass: 198.72
• Monoisotopic Mass: 198.04789855
• SMILES: CO[Si](CCCCl)(OC)OC
• Canonical SMILES: ClCCC[Si](OC)(OC)OC
• InChI: InChI=1S/C6H15ClO3Si/c1-8-11(9-2,10-3)6-4-5-7/h4-6H2,1-3H3
• InChIKey: OXYZDRAJMHGSMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-chloropropyl)trimethoxysilane
• IUPAC Traditional name: (3-chloropropyl)trimethoxysilane
• Synonyms: 3-Chloropropyltrimethoxysilane; (3-Chloropropyl)trimethoxysilane; Dow Corning® product Z-6076; (3-氯丙基)三甲氧基硅烷; Dow Corning® 产品 Z-6076

Database IDs

• CAS Number: 2530-87-2
• EC Number: 219-787-9
• MDL Number: MFCD00000997
• Beilstein Number: 969627
• PubChem SID: 24867575; 162231492
• PubChem CID: 62449

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3571
• LogD (pH = 7.4): 1.3571
• Log P: 1.3571
• Molar Refractivity: 40.7985 cm^3
• Polarizability: 18.728285 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: liquid; Liquid
• Melting Point: -50°C
• Boiling Point: 195 °C/750 mmHg(lit.); 195-197°C
• Flash Point: 159.8 °F; 71 °C; 78°C(172°F)
• Density: 1.077; 1.09 g/mL at 25 °C(lit.)
• Refractive Index: 1.4200; n20/D 1.419(lit.); n20/D 1.420

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: VV2680000
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H315-H319-H335-H227
• GHS Precautionary statements: P261-P305 + P351 + P338; P280G-P305+P351+P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: ≥95.0% (GC); ≥97%; 97%; 97+%
• Grade: purum
• Packaging: packaged under Argon in resealable ChemSeal? bottles
• Linear Formula: Cl(CH2)3Si(OCH3)3

DETAILS

Sigma Aldrich - 440183

Packaging
1 L in Sure/Seal™
100 mL in Sure/Seal™
Legal Information
Repackaged by Aldrich Chemical Company, Inc. Manufactured by Dow Corning Corporation, U.S.A.
Dow Corning is a registered trademark of The Dow Chemical Company or an affiliated company of Dow