1-bromo-5-chloropentane

• ChemBase ID: 82212
• Molecular Formular: C5H10BrCl
• Molecular Mass: 185.4899
• Monoisotopic Mass: 183.96544
• SMILES: ClCCCCCBr
• Canonical SMILES: ClCCCCCBr
• InChI: InChI=1S/C5H10BrCl/c6-4-2-1-3-5-7/h1-5H2
• InChIKey: PHHNNDKXQVKJEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-5-chloropentane
• IUPAC Traditional name: 1-bromo-5-chloropentane
• Synonyms: 1-Bromo-5-chloropentane; 1-Bromo-5-chloropentane; 2,4-Dihydro-2-phenyl-5-trifluoromethyl-3H-pyrazol-3-one; 1-溴-5-氯戊烷

Database IDs

• CAS Number: 54512-75-3
• EC Number: 259-193-7
• MDL Number: MFCD00001016
• Beilstein Number: 1732341
• PubChem SID: 24850188; 24854319; 162069331
• PubChem CID: 96070

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.707891
• LogD (pH = 7.4): 2.707891
• Log P: 2.707891
• Molar Refractivity: 37.7501 cm^3
• Polarizability: 14.5900755 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 210-212 °C(lit.); 210-212°C; 210-212°C
• Flash Point: 203 °F; 95 °C; 95°C(203°F)
• Density: 1.408; 1.408 g/mL at 25 °C(lit.)
• Refractive Index: 1.4836; n20/D 1.484; n20/D 1.484(lit.)

Safety Information

• Storage Warning: Irritant
• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (GC); 98%
• Grade: purum
• Linear Formula: Cl(CH2)5Br

DETAILS

Sigma Aldrich - 241660

Packaging
5, 25 g in glass bottle