1-bromo-3-chloro-5-fluorobenzene

• ChemBase ID: 6811
• Molecular Formular: C6H3BrClF
• Molecular Mass: 209.4434232
• Monoisotopic Mass: 207.909068
• SMILES: c1(Br)cc(Cl)cc(F)c1
• Canonical SMILES: Fc1cc(Cl)cc(c1)Br
• InChI: InChI=1S/C6H3BrClF/c7-4-1-5(8)3-6(9)2-4/h1-3H
• InChIKey: GGMDFPMASIXEIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-3-chloro-5-fluorobenzene
• IUPAC Traditional name: 1-bromo-3-chloro-5-fluorobenzene
• Synonyms: 1-Bromo-3-chloro-5-fluorobenzene; 1-Bromo-3-chloro-5-fluorobenzene; 3-Chloro-5-fluorobromobenzene; 1-Bromo-3-chloro-5-fluorobenzene; 3-Chloro-5-fluorobromobenzene 98%; 1-溴-3-氯-5-氟苯

Database IDs

• CAS Number: 33863-76-2
• MDL Number: MFCD00070747
• Beilstein Number: 2432912
• PubChem SID: 160970118
• PubChem CID: 2736223

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.488745
• LogD (pH = 7.4): 3.488745
• Log P: 3.488745
• Molar Refractivity: 38.702 cm^3
• Polarizability: 14.950312 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.72
• Refractive Index: 1.547; 1.5470

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26
• TSCA Listed: false; 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%