2-chloro-1-(chloromethyl)-4-fluorobenzene

• ChemBase ID: 97160
• Molecular Formular: C7H5Cl2F
• Molecular Mass: 179.0190032
• Monoisotopic Mass: 177.97523374
• SMILES: Clc1c(ccc(c1)F)CCl
• Canonical SMILES: ClCc1ccc(cc1Cl)F
• InChI: InChI=1S/C7H5Cl2F/c8-4-5-1-2-6(10)3-7(5)9/h1-3H,4H2
• InChIKey: HMIAXVWVTBIGON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-1-(chloromethyl)-4-fluorobenzene
• IUPAC Traditional name: 2-chloro-1-(chloromethyl)-4-fluorobenzene
• Synonyms: 2-Chloro-4-fluorobenzyl chloride; alpha,2-Dichloro-4-fluorotoluene; 2-Chloro-4-fluorobenzyl chloride; 2-Chloro-4-fluorobenzyl chloride 96%; 2-chloro-1-(chloromethyl)-4-fluorobenzene; 2-氯-4-氟苄基氯

Database IDs

• CAS Number: 93286-22-7
• MDL Number: MFCD00236026
• Beilstein Number: 9043128
• PubChem SID: 162083773
• PubChem CID: 2725064

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.3072345
• LogD (pH = 7.4): 3.3072345
• Log P: 3.3072345
• Molar Refractivity: 40.9461 cm^3
• Polarizability: 15.628113 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.37
• Refractive Index: 1.534; 1.5340
• Hydrophobicity(logP): 3.56

Safety Information

• Storage Warning: Corrosive/Lachrymatory
• 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: P280-P305+P351+P338-P309-P310

Product Information

• Purity: 95%; 96%; 98%