6-chloropyridin-2-ol

• ChemBase ID: 146982
• Molecular Formular: C5H4ClNO
• Molecular Mass: 129.54436
• Monoisotopic Mass: 128.99814143
• SMILES: c1cc(nc(c1)Cl)O
• Canonical SMILES: Oc1cccc(n1)Cl
• InChI: InChI=1S/C5H4ClNO/c6-4-2-1-3-5(8)7-4/h1-3H,(H,7,8)
• InChIKey: CLNNBQDAAGDAHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloropyridin-2-ol
• IUPAC Traditional name: 6-chloropyridin-2-ol
• Synonyms: 6-Chloro-2-pyridinol; 6-Chloro-2-hydroxypyridine; 2-Chloro-6-hydroxypyridine; 6-Chloropyridin-2-ol; 6-氯-2-吡啶醇; 6-氯-2-羟基吡啶; 2-氯-6-羟基吡啶

Database IDs

• CAS Number: 16879-02-0; 73018-09-4
• EC Number: 240-909-1
• MDL Number: MFCD00006278
• Beilstein Number: 108665
• PubChem SID: 24848294; 162241174
• PubChem CID: 85621

CALCULATED PROPERTIES

• Acid pKa: 10.635745
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8706843
• LogD (pH = 7.4): 1.8704382
• Log P: 1.8706875
• Molar Refractivity: 32.0616 cm^3
• Polarizability: 12.016348 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 128-130 °C(lit.); 129-131°C
• Flash Point: 163°C(325°F)

Safety Information

• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 22-36/37/38; 36/37/38
• Safety Statements: 26-36/37; 26-37/39
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335; 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: 95+%; 98%
• Empirical Formula (Hill Notation): C5H4ClNO

DETAILS

Sigma Aldrich - 136786

Packaging
25 g in glass bottle