1-(dichloromethyl)-2-fluorobenzene

• ChemBase ID: 96842
• Molecular Formular: C7H5Cl2F
• Molecular Mass: 179.0190032
• Monoisotopic Mass: 177.97523374
• SMILES: ClC(c1c(cccc1)F)Cl
• Canonical SMILES: ClC(c1ccccc1F)Cl
• InChI: InChI=1S/C7H5Cl2F/c8-7(9)5-3-1-2-4-6(5)10/h1-4,7H
• InChIKey: XFAFBKQDEPXWCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(dichloromethyl)-2-fluorobenzene
• IUPAC Traditional name: 1-(dichloromethyl)-2-fluorobenzene
• Synonyms: 2-Fluorobenzal chloride 98%; alpha,alpha-Dichloro-2-fluorotoluene; 2-Fluorobenzal chloride; 2-氟苯亚甲基氯

Database IDs

• CAS Number: 320-65-0
• EC Number: 206-279-7
• MDL Number: MFCD00043797
• Beilstein Number: 2042648
• PubChem SID: 162083487
• PubChem CID: 67575

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.37189
• LogD (pH = 7.4): 3.37189
• Log P: 3.37189
• Molar Refractivity: 41.1954 cm^3
• Polarizability: 15.5872555 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 224-232°C; 224-232°C
• Density: 1.309
• Refractive Index: 1.527; 1.5270

Safety Information

• Storage Warning: Corrosive/Lachrymator
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3265
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34-36
• Safety Statements: 26-45-36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Hazard statements: H314
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 97%