2-bromo-1,3,5-trichlorobenzene

• ChemBase ID: 92308
• Molecular Formular: C6H2BrCl3
• Molecular Mass: 260.34308
• Monoisotopic Mass: 257.8405451
• SMILES: Brc1c(cc(cc1Cl)Cl)Cl
• Canonical SMILES: Clc1cc(Cl)c(c(c1)Cl)Br
• InChI: InChI=1S/C6H2BrCl3/c7-6-4(9)1-3(8)2-5(6)10/h1-2H
• InChIKey: BAPPAFMEUDJAQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-1,3,5-trichlorobenzene
• IUPAC Traditional name: 2-bromo-1,3,5-trichlorobenzene
• Synonyms: 2-Bromo-1,3,5-trichlorobenzene; 1-Bromo-2,4,6-trichlorobenzene; 2-bromo-1,3,5-trichlorobenzene; 2-溴-1,3,5-三氯苯

Database IDs

• CAS Number: 19393-96-5
• MDL Number: MFCD00060653
• PubChem SID: 162079006
• PubChem CID: 140526

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.5541325
• LogD (pH = 7.4): 4.5541325
• Log P: 4.5541325
• Molar Refractivity: 48.0952 cm^3
• Polarizability: 19.08721 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• 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: 97%