1,2-dibromo-5-chloro-3-fluorobenzene

• ChemBase ID: 93064
• Molecular Formular: C6H2Br2ClF
• Molecular Mass: 288.3394832
• Monoisotopic Mass: 285.81957996
• SMILES: Clc1cc(c(c(c1)F)Br)Br
• Canonical SMILES: Clc1cc(F)c(c(c1)Br)Br
• InChI: InChI=1S/C6H2Br2ClF/c7-4-1-3(9)2-5(10)6(4)8/h1-2H
• InChIKey: XLDRDGJJGGYJCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dibromo-5-chloro-3-fluorobenzene
• IUPAC Traditional name: 1,2-dibromo-5-chloro-3-fluorobenzene
• Synonyms: 5-Chloro-2,3-dibromo-1-fluorobenzene; 1,2-Dibromo-5-chloro-3-fluorobenzene; 5-Chloro-1,2-dibromo-3-fluorobenzene; 1-Chloro-3,4-dibromo-5-fluorobenzene; 3,4-Dibromo-5-fluorochlorobenzene 98%; 5-氯-1,2-二溴-3-氟苯

Database IDs

• CAS Number: 208186-78-1
• MDL Number: MFCD00143441
• PubChem SID: 162079762
• PubChem CID: 2724907

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.257498
• LogD (pH = 7.4): 4.257498
• Log P: 4.257498
• Molar Refractivity: 46.3248 cm^3
• Polarizability: 18.151781 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 37-39°C; 37-39°C

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313

Product Information

• Purity: 98%