1-(chloromethyl)-3,5-difluorobenzene

• ChemBase ID: 93479
• Molecular Formular: C7H5ClF2
• Molecular Mass: 162.5644064
• Monoisotopic Mass: 162.00478428
• SMILES: ClCc1cc(cc(c1)F)F
• Canonical SMILES: ClCc1cc(F)cc(c1)F
• InChI: InChI=1S/C7H5ClF2/c8-4-5-1-6(9)3-7(10)2-5/h1-3H,4H2
• InChIKey: VNGSMSFVLAAOGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(chloromethyl)-3,5-difluorobenzene
• IUPAC Traditional name: 1-(chloromethyl)-3,5-difluorobenzene
• Synonyms: 1-(Chloromethyl)-3,5-difluorobenzene; alpha-Chloro-3,5-difluorotoluene; 3,5-Difluorobenzyl chloride 98%; 3,5-Difluorobenzyl chloride; 3,5-Difluorobenzyl chloride; 3,5-二氟苄基氯

Database IDs

• CAS Number: 220141-71-9
• EC Number: 000-000-0
• MDL Number: MFCD01090990
• Beilstein Number: 7473788
• PubChem SID: 162080164
• PubChem CID: 2736955

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8458917
• LogD (pH = 7.4): 2.8458917
• Log P: 2.8458917
• Molar Refractivity: 36.3577 cm^3
• Polarizability: 13.475709 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 82°C/22mm; 82°C/22mm
• Refractive Index: 1.4885

Safety Information

• Storage Warning: Corrosive/Lachrymatory/Moisture Sensitive/Store under Argon
• 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: 98%