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

• ChemBase ID: 34731
• Molecular Formular: C7H5BrClF
• Molecular Mass: 223.4700032
• Monoisotopic Mass: 221.92471806
• SMILES: c1(c(ccc(c1)Br)CCl)F
• Canonical SMILES: ClCc1ccc(cc1F)Br
• InChI: InChI=1S/C7H5BrClF/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,4H2
• InChIKey: UDKQGFMDBMYVHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-1-(chloromethyl)-2-fluorobenzene
• IUPAC Traditional name: 4-bromo-1-(chloromethyl)-2-fluorobenzene
• Synonyms: 4-Bromo-1-(chloromethyl)-2-fluorobenzene; 4-Bromo-2-fluorobenzyl chloride; 4-Bromo-2-fluorobenzyl chloride 97%; 4-溴-2-氟苯甲基氯

Database IDs

• CAS Number: 85510-82-3
• MDL Number: MFCD02094036
• Beilstein Number: 6323063
• PubChem SID: 160998038
• PubChem CID: 2773361

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.4719424
• LogD (pH = 7.4): 3.4719424
• Log P: 3.4719424
• Molar Refractivity: 43.7641 cm^3
• Polarizability: 16.682993 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.65
• Refractive Index: 1.562; 1.5620

Safety Information

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

Product Information

• Purity: 97%