5-chloropentan-1-ol

• ChemBase ID: 91070
• Molecular Formular: C5H11ClO
• Molecular Mass: 122.59324
• Monoisotopic Mass: 122.04984265
• SMILES: ClCCCCCO
• Canonical SMILES: OCCCCCCl
• InChI: InChI=1S/C5H11ClO/c6-4-2-1-3-5-7/h7H,1-5H2
• InChIKey: DCBJCKDOZLTTDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloropentan-1-ol
• IUPAC Traditional name: 5-chloropentan-1-ol
• Synonyms: 1-Chloro-5-hydroxypentane; Pentamethylene chlorohydrin; 5-Chloropentan-1-ol 97%; 5-chloropentan-1-ol; 5-Chloro-1-pentanol; 1-CHLORO-5-HYDROXYPENTANE; 5-氯-1-戊醇

Database IDs

• CAS Number: 5259-98-3
• EC Number: 226-067-8
• MDL Number: MFCD00039556
• Beilstein Number: 1732314
• PubChem SID: 162077774
• PubChem CID: 78915

CALCULATED PROPERTIES

• Acid pKa: 16.843918
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.1678039
• LogD (pH = 7.4): 1.1678039
• Log P: 1.1678039
• Molar Refractivity: 31.7156 cm^3
• Polarizability: 12.401279 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 102-103°C/8mm; 102-103°C/8mm
• Density: 1.06; 1.060
• Refractive Index: 1.4540
• Hydrophobicity(logP): 1.065

Safety Information

• Storage Warning: Harmful/Irritant
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 95%; 95+%

DETAILS

MP Biomedicals - 05213176

MP Biomedicals Rare Chemical collection