2-(chloromethyl)-1,4-difluorobenzene

• ChemBase ID: 13702
• Molecular Formular: C7H5ClF2
• Molecular Mass: 162.5644064
• Monoisotopic Mass: 162.00478428
• SMILES: C(c1c(ccc(c1)F)F)Cl
• Canonical SMILES: ClCc1cc(F)ccc1F
• InChI: InChI=1S/C7H5ClF2/c8-4-5-3-6(9)1-2-7(5)10/h1-3H,4H2
• InChIKey: INXKTZMJFPRVAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)-1,4-difluorobenzene
• IUPAC Traditional name: 2-(chloromethyl)-1,4-difluorobenzene
• Synonyms: 2-(chloromethyl)-1,4-difluorobenzene; 2,5-Difluorobenzyl chloride; 2,5-Difluorobenzyl chloride; 2-(Chloromethyl)-1,4-difluorobenzene; 2,5-Difluorobenzyl chloride 97%; 2,5-二氟苄基氯

Database IDs

• CAS Number: 495-07-8
• EC Number: None
• MDL Number: MFCD01090989
• PubChem SID: 160977009
• PubChem CID: 2736950

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: 13.47599 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 62-64°C/14mm
• Density: 1.3
• Hydrophobicity(logP): 2.99

Safety Information

• Storage Warning: Corrosive/Harmful/Lachrymatory; IRRITANT, CORROSIVE
• European Hazard Symbols: Corrosive (C)
• UN Number: UN1760
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45
• 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%; 98%