[3,5-bis(trifluoromethyl)phenyl](chloro)dimethylsilane

• ChemBase ID: 21466
• Molecular Formular: C10H9ClF6Si
• Molecular Mass: 306.7073792
• Monoisotopic Mass: 306.00662382
• SMILES: [Si](Cl)(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Canonical SMILES: FC(c1cc(cc(c1)[Si](Cl)(C)C)C(F)(F)F)(F)F
• InChI: InChI=1S/C10H9ClF6Si/c1-18(2,11)8-4-6(9(12,13)14)3-7(5-8)10(15,16)17/h3-5H,1-2H3
• InChIKey: JZWDIKPZWMXPMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3,5-bis(trifluoromethyl)phenyl](chloro)dimethylsilane
• IUPAC Traditional name: [3,5-bis(trifluoromethyl)phenyl](chloro)dimethylsilane
• Synonyms: 3,5-Bis(trifluoromethyl)phenyldimethylsilyl chloride; 3,5-Bis(trifluoromethyl)phenyldimethylchlorosilane; 3,5-Bis(trifluoromethyl)phenyldimethylchlorosilane; [3,5-Bis(trifluoromethyl)phenyl]dimethylsilyl chloride; [3,5-Bis(trifluoromethyl)phenyl]chloro(dimethyl)silane; 3,5-双(三氟甲基)苯基二甲基氯硅烷

Database IDs

• CAS Number: 732306-23-9
• MDL Number: MFCD01862186
• PubChem SID: 160984773
• PubChem CID: 2783240

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.0995
• LogD (pH = 7.4): 4.0995
• Log P: 4.0995
• Molar Refractivity: 55.1182 cm^3
• Polarizability: 21.516119 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 95-96°C/30mm; 95-96°C/30mm
• Refractive Index: 1.4240

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive/Store under Argon; Moisture Sensitive; MOISTURE SENSITIVE, CORROSIVE
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3265
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 23-26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 95%; 97%