2-(bromomethyl)-5-chloro-1,3-difluorobenzene

• ChemBase ID: 100086
• Molecular Formular: C7H4BrClF2
• Molecular Mass: 241.4604664
• Monoisotopic Mass: 239.91529625
• SMILES: Fc1cc(cc(c1CBr)F)Cl
• Canonical SMILES: BrCc1c(F)cc(cc1F)Cl
• InChI: InChI=1S/C7H4BrClF2/c8-3-5-6(10)1-4(9)2-7(5)11/h1-2H,3H2
• InChIKey: KYKUEAHGMDKVLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(bromomethyl)-5-chloro-1,3-difluorobenzene
• IUPAC Traditional name: 2-(bromomethyl)-5-chloro-1,3-difluorobenzene
• Synonyms: 2-(Bromomethyl)-5-chloro-1,3-difluorobenzene; 4-Chloro-2,6-difluorobenzyl bromide; 2-(Bromomethyl)-5-chloro-1,3-difluorobenzene; 4-Chloro-2,6-difluorobenzyl bromide; 4-氯-2,6-二氟溴苄

Database IDs

• CAS Number: 537013-52-8
• MDL Number: MFCD03094463
• PubChem SID: 162086899
• PubChem CID: 2773551

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6354318
• LogD (pH = 7.4): 3.6354318
• Log P: 3.6354318
• Molar Refractivity: 44.146 cm^3
• Polarizability: 16.563395 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

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: 97%