1,4-dibromo-2-ethylbenzene

• ChemBase ID: 89061
• Molecular Formular: C8H8Br2
• Molecular Mass: 263.95712
• Monoisotopic Mass: 261.89927426
• SMILES: Brc1c(cc(cc1)Br)CC
• Canonical SMILES: CCc1cc(Br)ccc1Br
• InChI: InChI=1S/C8H8Br2/c1-2-6-5-7(9)3-4-8(6)10/h3-5H,2H2,1H3
• InChIKey: OMHJVVBCCMLFMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dibromo-2-ethylbenzene
• IUPAC Traditional name: 1,4-dibromo-2-ethylbenzene
• Synonyms: 1,4-Dibromo-2-ethylbenzene; 1,4-Dibromo-2-ethylbenzene; 1,4-二溴-2-乙苯

Database IDs

• CAS Number: 289039-53-8
• MDL Number: MFCD00672998
• PubChem SID: 162075947
• PubChem CID: 18947383

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.468741
• LogD (pH = 7.4): 4.468741
• Log P: 4.468741
• Molar Refractivity: 50.9458 cm^3
• Polarizability: 19.669163 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

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: 96%