2-bromopyridin-3-ol

• ChemBase ID: 13751
• Molecular Formular: C5H4BrNO
• Molecular Mass: 173.99536
• Monoisotopic Mass: 172.94762575
• SMILES: c1cnc(c(c1)O)Br
• Canonical SMILES: Oc1cccnc1Br
• InChI: InChI=1S/C5H4BrNO/c6-5-4(8)2-1-3-7-5/h1-3,8H
• InChIKey: YKHQFTANTNMYPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromopyridin-3-ol
• IUPAC Traditional name: 3-pyridinol, 2-bromo-
• Synonyms: 2-BROMO-3-HYDROXY PYRIDINE; 2-Bromopyridin-3-ol; 2-Bromo-3-hydroxypyridine 99%; 2-Bromo-3-hydroxypyridine; 2-Bromo-3-hydroxypyridine; 2-Bromo-3-pyridinol; 2-bromopyridin-3-ol; 2-Bromo-pyridin-3-ol; 2-Bromo-3-pyridinol; 2-Bromo-3-hydroxypyridine; 2-溴-3-羟基吡啶; 2-溴-3-吡啶醇; 2-溴-3-羟基吡啶

Database IDs

• CAS Number: 6602-32-0
• EC Number: 229-547-5
• MDL Number: MFCD00006220
• Beilstein Number: 109829
• PubChem SID: 160977058; 24851022; 24847268
• PubChem CID: 23070

CALCULATED PROPERTIES

• Acid pKa: 7.28932
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4193726
• LogD (pH = 7.4): 1.0781567
• Log P: 1.4262828
• Molar Refractivity: 34.347 cm^3
• Polarizability: 13.050833 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 182-186°C; 183-186 °C; 185-188 °C(lit.); 185-188°C

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive
• RTECS: UU7705000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280G-P305+P351+P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (AT); 97%; 98%; 99%
• Grade: purum
• Empirical Formula (Hill Notation): C5H4BrNO

DETAILS

MP Biomedicals - 05222944

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 116173

Packaging
5, 25 g in glass bottle