2-bromo-1,3,4-trifluorobenzene

• ChemBase ID: 100151
• Molecular Formular: C6H2BrF3
• Molecular Mass: 210.9792896
• Monoisotopic Mass: 209.92919672
• SMILES: Fc1c(c(ccc1F)F)Br
• Canonical SMILES: Fc1ccc(c(c1Br)F)F
• InChI: InChI=1S/C6H2BrF3/c7-5-3(8)1-2-4(9)6(5)10/h1-2H
• InChIKey: CNAXDCSHYHIOGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-1,3,4-trifluorobenzene
• IUPAC Traditional name: 2-bromo-1,3,4-trifluorobenzene
• Synonyms: 1-Bromo-2,3,6-trifluorobenzene 98%; 2,3,6-Trifluorobromobenzene; 2-Bromo-1,3,4-trifluorobenzene; 2,3,6-Trifluorobromobenzene; 2-溴-1,3,4-三氟苯

Database IDs

• CAS Number: 176793-04-7
• EC Number: 000-000-0
• MDL Number: MFCD00236214
• PubChem SID: 162086424
• PubChem CID: 2736401

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1701043
• LogD (pH = 7.4): 3.1701043
• Log P: 3.1701043
• Molar Refractivity: 34.33 cm^3
• Polarizability: 12.853994 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 62°C(143°F)
• Refractive Index: 1.4895

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%