5-chloropyridin-2-ol

• ChemBase ID: 91001
• Molecular Formular: C5H4ClNO
• Molecular Mass: 129.54436
• Monoisotopic Mass: 128.99814143
• SMILES: n1c(ccc(c1)Cl)O
• Canonical SMILES: Oc1ccc(cn1)Cl
• InChI: InChI=1S/C5H4ClNO/c6-4-1-2-5(8)7-3-4/h1-3H,(H,7,8)
• InChIKey: SZFUWUOHDRMCKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloropyridin-2-ol
• IUPAC Traditional name: 5-chloropyridin-2-ol
• Synonyms: 5-Chloro-2-pyridinol; 5-Chloro-2-hydroxypyridine; 5-chloropyridin-2-ol; 5-Chloropyridin-2-ol; 5-Chloro-2-hydroxypyridine 98%; 5-氯-2-吡啶醇; 5-氯-2-羟基吡啶

Database IDs

• CAS Number: 4214-79-3
• EC Number: 224-146-1
• MDL Number: MFCD00006275
• Beilstein Number: 2020
• PubChem SID: 162077705; 24848247
• PubChem CID: 77889

CALCULATED PROPERTIES

• Acid pKa: 10.764227
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6505045
• LogD (pH = 7.4): 1.6503247
• Log P: 1.6505103
• Molar Refractivity: 31.0003 cm^3
• Polarizability: 11.962607 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 163-165 °C(lit.); 163-165°C; 163-165°C

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%; 98+%
• Empirical Formula (Hill Notation): C5H4ClNO

DETAILS

Sigma Aldrich - 135933

Packaging
10 g in glass bottle