2-Bromo-3-pyridinol
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Basic information
- CAS
6602-32-0- Standard SMILES
Oc1cccnc1Br- InChIKey
YKHQFTANTNMYPP-UHFFFAOYSA-N- Molecular formula
- C5H4BrNO
- Average molar mass
- 174 g/mol
- Monoisotopic mass
- 172.94763
Names & identifiers
- Preferred name
- 2-Bromo-3-pyridinol
- IUPAC
- 2-bromopyridin-3-ol
- English name
- 2-Bromo-3-hydroxypyridine
- Molecular formula
- C5H4BrNO
- Molecular weight
- 174
Names & synonyms
2-Bromo-3-hydroxypyridine2-Bromopyridin-3-ol2-Bromo-3-pyridinolBRN 0109829EINECS 229-547-5UNII-9DAB85H3599DAB85H359DTXSID8022242YKHQFTANTNMYPP-UHFFFAOYSA-5-21-02-00086 (Beilstein Handbook Reference)SKF 752502Bromopyridin3ol
Show more names
2-bromo-3-pyridino2-Bromo-3-pyridine2-Brompyridin-3-olTIMTEC-BB SBB003805LABOTEST-BB LT011432722-Bromo-3-pyridinol,99%2-Bromo-3-pyridinol ,98%
3Pyridinol, 2bromo2Bromo3hydroxypyridineRefChem:85689DTXCID602242InChI=1/C5H4BrNO/c6-5-4(8)2-1-3-7-5/h1-3,8HYKHQFTANTNMYPP-UHFFFAOYSA-N6602-32-03-PYRIDINOL, 2-BROMO-
Database identifiers
- CAS
6602-32-0- PubChem CID
- 23070
- DTXSID
DTXSID8022242- UNII
- 9DAB85H359
- EC Number
- 229-547-5
- Nikkaji
- J51.350D
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 78
Experimental & physicochemical properties
Physical DescriptionOff-white powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 185 · 185-188 °C(lit.)
- Boiling point
- 321.7 · 321.7±22.0 °C(Predicted)
- Density
- 1.5643 · 1.5643 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 4.32 · 4.32±0.10(Predicted)
- form
- Crystalline Powder
- color
- Light brown to gray
- Water Solubility
- Soluble in alcohol. Insoluble in water.
- BRN
- 109829 · 109829
- InChI
- InChI=1S/C5H4BrNO/c6-5-4(8)2-1-3-7-5/h1-3,8H
- InChIKey
- YKHQFTANTNMYPP-UHFFFAOYSA-N
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazards SummaryIntravenous LD50 (mouse) = 320 mg/kg; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS] See Clopidol.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (98%)
Safety data
- F
- 10
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- UU7705000
- hs_code
- 29333999
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
Chemistry & industry
Applications
Uses2-Bromo-3-hydroxypyridine is used to produce 2-bromo-4,6-diiodo-3-pyridinol. It is also used in azo dyes and in the synthesis of pterocellin A by reacting with kojic acid and in synthesis of orelline.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
135 records
Compound notes
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