Basic information
- CAS
16867-04-2- Standard SMILES
O=c1[nH]cccc1O- InChIKey
GGOZGYRTNQBSSA-UHFFFAOYSA-N- Molecular formula
- C5H5NO2
- Average molar mass
- 111.1 g/mol
- Monoisotopic mass
- 111.0320284
Overview
Pyridine-2,3-diol is a dihydroxypyridine in which the two hydroxy groups are located at positions 2 and 3.
Names & identifiers
- Preferred name
- 2,3-Dihydroxypyridine
- IUPAC
- 3-hydroxy-1H-pyridin-2-one
- English name
- 2,3-Dihydroxypyridine
- Molecular formula
- C5H5NO2
- Molecular weight
- 111.1
Names & synonyms
2,3-DIHYDROXYPYRIDINE16867-04-23-Hydroxy-2-pyridone3-Hydroxy-1H-pyridin-2-oneDTXSID00517823-hydroxy-2-pyridinone7HY4BCJ130NSC-49272DTXCID9030337RefChem:81779240-887-3Pyridine-2,3-diol
Show more names
TIMTEC-BB SBB0043333-Dihydroxypyridine2-Hydroxy-3-pyridinol2,3-DIHYDROXYPYRIMIDINE
2,3-Pyridinediol84719-32-43-hydroxypyridin-2(1H)-one2(1H)-Pyridinone, 3-hydroxy-3-Hydroxy-2(1H)-pyridinoneMFCD000062712(1H)-Pyridone, 3-hydroxy-hydroxypyridone
Database identifiers
- CAS
16867-04-2、84719-32-4- PubChem CID
- 28115
- DTXSID
DTXSID0051782- ChEMBL
CHEMBL287899- ChEBI
CHEBI:131454- UNII
- 7HY4BCJ130
- EC Number
- 240-887-3
- Nikkaji
- J141.791F
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 169
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Pyridines
Physical DescriptionBrown powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 245 °C · 245 °C (dec.) (lit.)
- Boiling point
- 208.19 °C · 208.19°C (rough estimate)
- Density
- 1.3113 · 1.3113 (rough estimate)
- refractive index
- 1.426 · 1.4260 (estimate)
- Flash point
- 245 °C · 245°C
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 9 · 9.00±0.10(Predicted)
- form
- powder to crystal
- color
- Light yellow to Brown
- Water Solubility
- Soluble in water.
- Decomposition
- 245 · 245 ºC
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/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 74 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryIncreased circulating thyroid hormone concentrations after IV infusions in goats; [Reference #1] A skin and strong eye irritant; [Alfa Aesar MSDS] See Pyridine.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UV1146700
- hs_code
- 29333999
- risk_code
- 36/37/38-40
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36-37/39-22
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2(1H)-Pyridinone, 3-hydroxy-: ACTIVE
Applications
Uses2,3-Dihydroxypyridine(DHP) was used in the synthesis of DHP loaded amberlite XAD-2 via azo coupler. It was used in the synthesis of new macromolecular chelators by loading DHP on cellulose via linkers -NH-CH2-CH2-NH-SO2-C6H4-N=N- and -SO2-C6H4-N=N.
Upstream & downstream products
Upstream raw materials
Related reactions
8 records
Compound notes
Loading…