2-(2-bromoethoxy)-1,3,5-trichlorobenzene

• ChemBase ID: 51461
• Molecular Formular: C8H6BrCl3O
• Molecular Mass: 304.39564
• Monoisotopic Mass: 301.86675985
• SMILES: c1(c(cc(cc1Cl)Cl)Cl)OCCBr
• Canonical SMILES: BrCCOc1c(Cl)cc(cc1Cl)Cl
• InChI: InChI=1S/C8H6BrCl3O/c9-1-2-13-8-6(11)3-5(10)4-7(8)12/h3-4H,1-2H2
• InChIKey: GFLHGSIWKATBCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-bromoethoxy)-1,3,5-trichlorobenzene
• IUPAC Traditional name: 2-(2-bromoethoxy)-1,3,5-trichlorobenzene
• Synonyms: 2-(2-Bromoethoxy)-1,3,5-trichlorobenzene; 2-Bromoethyl 2,4,6-trichlorophenyl ether; beta-Bromo-2,4,6-trichlorophenetole; 2-(2-Bromoethoxy)-1,3,5-trichlorobenzene

Database IDs

• CAS Number: 26378-23-4
• MDL Number: MFCD00456143
• PubChem SID: 162056224
• PubChem CID: 13565103

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.4776936
• LogD (pH = 7.4): 4.4776936
• Log P: 4.4776936
• Molar Refractivity: 59.2624 cm^3
• Polarizability: 23.355503 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 48 - 50 °C; 48-50°C

Safety Information

• Storage Warning: Harmful/Light Sensitive; IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%