2-bromo-1,3-diethylbenzene

• ChemBase ID: 301931
• Molecular Formular: C10H13Br
• Molecular Mass: 213.11422
• Monoisotopic Mass: 212.02006242
• SMILES: CCc1cccc(c1Br)CC
• Canonical SMILES: CCc1cccc(c1Br)CC
• InChI: InChI=1S/C10H13Br/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4H2,1-2H3
• InChIKey: FPWGIABDOFXETH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-1,3-diethylbenzene
• IUPAC Traditional name: 2-bromo-1,3-diethylbenzene
• Synonyms: 1-Bromo-2,6-diethylbenzene; 2,6-Diethylbromobenzene; 2-Bromo-1,3-diethylbenzene; 2-溴-1,3-二乙基苯

Database IDs

• CAS Number: 65232-57-7
• MDL Number: MFCD00017770
• Beilstein Number: 2501180

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.6579785
• LogD (pH = 7.4): 4.6579785
• Log P: 4.6579785
• Molar Refractivity: 52.9652 cm^3
• Polarizability: 20.235538 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 78-80°C/2mm
• Density: 1.264
• Refractive Index: 1.5440

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 94%