2-bromohexane

• ChemBase ID: 107888
• Molecular Formular: C6H13Br
• Molecular Mass: 165.07142
• Monoisotopic Mass: 164.02006242
• SMILES: CCCCC(C)Br
• Canonical SMILES: CCCCC(Br)C
• InChI: InChI=1S/C6H13Br/c1-3-4-5-6(2)7/h6H,3-5H2,1-2H3
• InChIKey: NEBYCXAKZCQWAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromohexane
• IUPAC Traditional name: 2-bromohexane
• Synonyms: 2-Hexyl bromide; 2-BROMOHEXANE; 2-Bromohexane; 2-溴己烷

Database IDs

• CAS Number: 3377-86-4
• EC Number: 222-173-3
• MDL Number: MFCD00039183
• Beilstein Number: 1731328
• PubChem SID: 162089114
• PubChem CID: 18805
• Chemspider ID: 17757
• Wikipedia Title: 2-Bromohexane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.2065527
• LogD (pH = 7.4): 3.2065527
• Log P: 3.2065527
• Molar Refractivity: 37.1892 cm^3
• Polarizability: 14.458587 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colorless liquid
• Boiling Point: 143°C; 146-147°C
• Flash Point: 47 °C; 47°C(116°F)
• Density: 1.171; 1.1891 g mL^-1
• Refractive Index: 1.4430

Safety Information

• European Hazard Symbols: Flammable (F)
• UN Number: UN1993
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10; R:10
• Safety Statements: 23; S:9-16-29
• TSCA Listed: 是
• GHS Pictograms: GHS02
• GHS Hazard statements: H226
• GHS Precautionary statements: P261

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05205336

MP Biomedicals Rare Chemical collection