2,5-dibromohexane

• ChemBase ID: 302296
• Molecular Formular: C6H12Br2
• Molecular Mass: 243.96748
• Monoisotopic Mass: 241.93057438
• SMILES: CC(CCC(C)Br)Br
• Canonical SMILES: CC(CCC(Br)C)Br
• InChI: InChI=1S/C6H12Br2/c1-5(7)3-4-6(2)8/h5-6H,3-4H2,1-2H3
• InChIKey: MQYLGFBWOZXHHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dibromohexane
• IUPAC Traditional name: 2,5-dibromohexane
• Synonyms: 2,5-Dibromohexane, erythro + threo; 2,5-二溴己烷, 苏式赤式混合物

Database IDs

• CAS Number: 24774-58-1
• EC Number: 246-457-1
• MDL Number: MFCD00039177
• Beilstein Number: 1732460

CALCULATED PROPERTIES

• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.2819676
• LogD (pH = 7.4): 3.2819676
• Log P: 3.2819676
• Molar Refractivity: 44.9702 cm^3
• Polarizability: 17.452045 Å^3

PROPERTIES

Physical Property

• Boiling Point: 88-89°C/13mm
• Flash Point: >110°C(230°F)
• Density: 1.58
• Refractive Index: 1.5010

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313

Product Information

• Purity: 97%