2-(bromomethyl)-1,3,5-trifluorobenzene

• ChemBase ID: 8168
• Molecular Formular: C7H4BrF3
• Molecular Mass: 225.0058696
• Monoisotopic Mass: 223.94484679
• SMILES: c1c(cc(c(c1F)CBr)F)F
• Canonical SMILES: BrCc1c(F)cc(cc1F)F
• InChI: InChI=1S/C7H4BrF3/c8-3-5-6(10)1-4(9)2-7(5)11/h1-2H,3H2
• InChIKey: SPPLWANVCVTGEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(bromomethyl)-1,3,5-trifluorobenzene
• IUPAC Traditional name: 2-(bromomethyl)-1,3,5-trifluorobenzene
• Synonyms: 2-(Bromomethyl)-1,3,5-trifluorobenzene; 2,4,6-Trifluorobenzyl bromide 97%; alpha-Bromo-2,4,6-trifluorotoluene; 2,4,6-Trifluorobenzyl bromide; 2,4,6-Trifluorobenzyl bromide; 2,4,6-三氟苯甲酰溴

Database IDs

• CAS Number: 151411-98-2
• MDL Number: MFCD00061210
• Beilstein Number: 8763072
• PubChem SID: 160971475
• PubChem CID: 2777059

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.174089
• LogD (pH = 7.4): 3.174089
• Log P: 3.174089
• Molar Refractivity: 39.5576 cm^3
• Polarizability: 14.498102 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.5015; 1.502

Safety Information

• Storage Warning: CORROSIVE; Corrosive/Irritant/Lachrymatory/Keep Cold
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3265
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 20-23-26-36/37/39-45
• TSCA Listed: true; 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: 97%