1-(dichloromethyl)-3-fluorobenzene

• ChemBase ID: 7932
• Molecular Formular: C7H5Cl2F
• Molecular Mass: 179.0190032
• Monoisotopic Mass: 177.97523374
• SMILES: ClC(Cl)c1cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)C(Cl)Cl
• InChI: InChI=1S/C7H5Cl2F/c8-7(9)5-2-1-3-6(10)4-5/h1-4,7H
• InChIKey: MVRCPAOYPLZMLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(dichloromethyl)-3-fluorobenzene
• IUPAC Traditional name: 1-(dichloromethyl)-3-fluorobenzene
• Synonyms: 3-Fluorobenzal chloride; 3-Fluorobenzal chloride 98%; alpha,alpha-Dichloro-3-fluorotoluene; 3-Fluorobenzal chloride; 3-氟二氯甲基苯

Database IDs

• CAS Number: 402-64-2
• EC Number: 206-952-5
• MDL Number: MFCD00037112
• Beilstein Number: 1936379
• PubChem SID: 160971239
• PubChem CID: 67875

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: 15.587382 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 195-197°C; 195-197°C
• Refractive Index: 1.5275

Safety Information

• Storage Warning: Corrosive/Lachrymatory; LACHRYMATOR, 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: 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: 98%