1,4-dibromo-2-fluorobenzene

• ChemBase ID: 8697
• Molecular Formular: C6H3Br2F
• Molecular Mass: 253.8944232
• Monoisotopic Mass: 251.85855232
• SMILES: Brc1ccc(cc1F)Br
• Canonical SMILES: Brc1ccc(c(c1)F)Br
• InChI: InChI=1S/C6H3Br2F/c7-4-1-2-5(8)6(9)3-4/h1-3H
• InChIKey: WNSNPGHNIJOOPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dibromo-2-fluorobenzene
• IUPAC Traditional name: 1,4-dibromo-2-fluorobenzene
• Synonyms: 1,4-Dibromo-2-fluorobenzene; 2,5-Dibromofluorobenzene 98%; 1,4-Dibromo-2-fluorobenzene; 2,5-Dibromofluorobenzene; 1,4-Dibromo-2-fluorobenzene; 1,4-二溴-2-氟苯

Database IDs

• CAS Number: 1435-52-5
• MDL Number: MFCD00010603
• Beilstein Number: 3236451
• PubChem SID: 24858324; 160972004
• PubChem CID: 137004

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.653453
• LogD (pH = 7.4): 3.653453
• Log P: 3.653453
• Molar Refractivity: 41.52 cm^3
• Polarizability: 16.124418 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 33-35°C; 33-36 °C(lit.); 33-36°C
• Boiling Point: 216 °C(lit.); 216°C; 216°C
• Flash Point: 101°C(213°F); 102 °C; 102°C; 215.6 °F

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Linear Formula: Br2C6H3F

DETAILS

Sigma Aldrich - 304093

Packaging
25 g in glass bottle