bis[(chloromethyl)dimethylsilyl]amine

• ChemBase ID: 112422
• Molecular Formular: C6H17Cl2NSi2
• Molecular Mass: 230.28288
• Monoisotopic Mass: 229.02765797
• SMILES: C[Si](C)(CCl)N[Si](C)(C)CCl
• Canonical SMILES: ClC[Si](N[Si](CCl)(C)C)(C)C
• InChI: InChI=1S/C6H17Cl2NSi2/c1-10(2,5-7)9-11(3,4)6-8/h9H,5-6H2,1-4H3
• InChIKey: SXSNZRHGAMVNJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis[(chloromethyl)dimethylsilyl]amine
• IUPAC Traditional name: bis[(chloromethyl)dimethylsilyl]amine
• Synonyms: 1,3-Bis(chloromethyl)-1,1,3,3-tetramethyldisilazane; 1,3-bis(CHLOROMETHYL)TETRAMETHYL DISILAZANE; 1,3-Bis(chloromethyl)-1,1,3,3-tetramethyldisilazane; 1,3-双(氯甲基)-1,1,3,3-四甲基二硅氨烷

Database IDs

• CAS Number: 14579-91-0
• EC Number: 238-622-1
• MDL Number: MFCD00000876
• Beilstein Number: 2409664
• PubChem SID: 162097323; 24854071
• PubChem CID: 26740

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.1113639
• LogD (pH = 7.4): 1.3252182
• Log P: 4.7149
• Molar Refractivity: 57.1079 cm^3
• Polarizability: 22.857582 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 204 °C/760 mmHg(lit.)
• Flash Point: 199.4 °F; 93 °C
• Density: 1.056 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.467(lit.); n20/D 1.468
• Vapor Density: >1 (vs air)

Safety Information

• RTECS: JM9210000
• European Hazard Symbols: Irritant (Xi)
• UN Number: 3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-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 3265 8/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥95.0% (GC); 95%
• Grade: purum
• Linear Formula: ClCH2Si(CH3)2NHSi(CH3)2CH2Cl

DETAILS

Sigma Aldrich - 234990

Packaging
5, 25 g in glass bottle

Sigma Aldrich - 14660

Other Notes
Silylating agent for introducing the (chloromethyl)dimethylsilyl protection1,2