1,2-dibromo-3,5-difluorobenzene

• ChemBase ID: 94709
• Molecular Formular: C6H2Br2F2
• Molecular Mass: 271.8848864
• Monoisotopic Mass: 269.8491305
• SMILES: Brc1c(c(cc(c1)F)F)Br
• Canonical SMILES: Fc1cc(F)c(c(c1)Br)Br
• InChI: InChI=1S/C6H2Br2F2/c7-4-1-3(9)2-5(10)6(4)8/h1-2H
• InChIKey: GABNJPUNFZFOJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dibromo-3,5-difluorobenzene
• IUPAC Traditional name: 1,2-dibromo-3,5-difluorobenzene
• Synonyms: 1,2-Dibromo-3,5-difluorobenzene 99%; 1,2-Dibromo-3,5-difluorobenzene; 1,2-Dibromo-3,5-difluorobenzene; 1,2-二溴-3,5-二氟苯; 1,2-二溴-3,5-二氟代苯

Database IDs

• CAS Number: 139215-43-3
• MDL Number: MFCD00042559
• PubChem SID: 162081363
• PubChem CID: 2724517

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.796155
• LogD (pH = 7.4): 3.796155
• Log P: 3.796155
• Molar Refractivity: 41.7364 cm^3
• Polarizability: 16.113503 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 36-38°C; 38-41°C
• Flash Point: >110°C(230°F)
• Density: 2.128; 2.13

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
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%; 99%
• Empirical Formula (Hill Notation): C6H2Br2F2