2-(chloromethyl)-1,3,4,5-tetrafluorobenzene

• ChemBase ID: 93805
• Molecular Formular: C7H3ClF4
• Molecular Mass: 198.5453328
• Monoisotopic Mass: 197.98594066
• SMILES: ClCc1c(c(c(cc1F)F)F)F
• Canonical SMILES: ClCc1c(F)cc(c(c1F)F)F
• InChI: InChI=1S/C7H3ClF4/c8-2-3-4(9)1-5(10)7(12)6(3)11/h1H,2H2
• InChIKey: MJAWZQXEHKHHOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)-1,3,4,5-tetrafluorobenzene
• IUPAC Traditional name: 2-(chloromethyl)-1,3,4,5-tetrafluorobenzene
• Synonyms: 2,3,4,6-Tetrafluorobenzyl chloride; 2,3,4,6-Tetrafluorobenzyl chloride; 2,3,4,6-四氟苯甲基氯

Database IDs

• CAS Number: 292621-61-5
• EC Number: 000-000-0
• MDL Number: MFCD03001151
• PubChem SID: 162080470
• PubChem CID: 2783278

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1312957
• LogD (pH = 7.4): 3.1312957
• Log P: 3.1312957
• Molar Refractivity: 36.7905 cm^3
• Polarizability: 13.2981825 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 125°C/70mm
• Refractive Index: 1.4580

Safety Information

• Storage Warning: Corrosive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3265
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 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: 97%