[(4-chlorophenyl)methylidene](trimethylsilyl)amine

• ChemBase ID: 151733
• Molecular Formular: C10H14ClNSi
• Molecular Mass: 211.76336
• Monoisotopic Mass: 211.05840367
• SMILES: C[Si](C)(C)/N=C/c1ccc(cc1)Cl
• Canonical SMILES: Clc1ccc(cc1)/C=N/[Si](C)(C)C
• InChI: InChI=1S/C10H14ClNSi/c1-13(2,3)12-8-9-4-6-10(11)7-5-9/h4-8H,1-3H3
• InChIKey: XLCRIROPKDZGLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-chlorophenyl)methylidene](trimethylsilyl)amine
• IUPAC Traditional name: [(4-chlorophenyl)methylidene](trimethylsilyl)amine
• Synonyms: N-(4-Chlorobenzylidene)trimethylsilylamine; N-(Trimethylsilyl)-4-chlorobenzaldimine; N-(4-氯亚苄基)三甲基硅基胺; N-(三甲基硅基)-4-氯苯甲醛亚胺

Database IDs

• CAS Number: 85654-07-5
• MDL Number: MFCD12546039
• PubChem SID: 162245883
• PubChem CID: 10932749

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4258196
• LogD (pH = 7.4): 3.908568
• Log P: 4.1159
• Molar Refractivity: 56.0442 cm^3
• Polarizability: 23.203568 Å^3
• Polar Surface Area: 12.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 27-36 °C
• Flash Point: 129.2 °F; 54 °C

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1325
• German water hazard class: 2
• Hazard Class: 4.1
• Packing Group: 3
• Risk Statements: 11-36/37/38
• Safety Statements: 26-36/39
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H228-H315-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1325 4.1/PG 3

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C10H14ClNSi

DETAILS

Sigma Aldrich - 704644

Packaging
1, 5 g in glass bottle