1-bromo-6-chlorohexane

• ChemBase ID: 105713
• Molecular Formular: C6H12BrCl
• Molecular Mass: 199.51648
• Monoisotopic Mass: 197.98109006
• SMILES: ClCCCCCCBr
• Canonical SMILES: ClCCCCCCBr
• InChI: InChI=1S/C6H12BrCl/c7-5-3-1-2-4-6-8/h1-6H2
• InChIKey: JTYUIAOHIYZBPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-6-chlorohexane
• IUPAC Traditional name: 1-bromo-6-chlorohexane
• Synonyms: 1-Bromo-6-chlorohexane; 1-BROMO-6-CHLOROHEXANE; Hexamethylene bromochloride; 1-溴-6-氯己烷

Database IDs

• CAS Number: 6294-17-3
• EC Number: 228-555-6
• MDL Number: MFCD00001019
• Beilstein Number: 1697304
• PubChem SID: 162092394; 24854318
• PubChem CID: 80516

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1524596
• LogD (pH = 7.4): 3.1524596
• Log P: 3.1524596
• Molar Refractivity: 42.3511 cm^3
• Polarizability: 16.387304 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 109-110 °C/2 mmHg(lit.); 109-110°C/2mm
• Flash Point: 101 °C; 101°C(214°F); 213.8 °F
• Density: 1.337; 1.337 g/mL at 25 °C(lit.)
• Refractive Index: 1.4806; n20/D 1.481(lit.); n20/D 1.482

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: ≥95.0% (GC); 95%; 95+%; 97%; 98%
• Grade: purum
• Linear Formula: Br(CH2)6Cl

DETAILS

MP Biomedicals - 02193824

Purity: 97%

Sigma Aldrich - 241652

Packaging
25 g in glass bottle