Basic information
- CAS
10128-71-9- Standard SMILES
O=C(O)c1ccncc1O- InChIKey
JEHGATQUCUYHJL-UHFFFAOYSA-N- Molecular formula
- C6H5NO3
- Average molar mass
- 139.11 g/mol
- Monoisotopic mass
- 139.02694302
Overview
3-hydroxyisonicotinic acid is a member of pyridines and an aromatic carboxylic acid.
Names & identifiers
- Preferred name
- 3-Hydroxy-4-pyridinecarboxylic acid
- IUPAC
- 3-hydroxypyridine-4-carboxylic acid
- English name
- 3-Hydroxy-4-pyridinecarboxylic acid
- Molecular formula
- C6H5NO3
- Molecular weight
- 139.11
Names & synonyms
3-Hydroxy-4-pyridinecarboxylic acid3H4P cpdRefChem:5025623-Hydroxyisonicotinic acid10128-71-93-Hydroxypyridine-4-carboxylic acid4-PYRIDINECARBOXYLIC ACID, 3-HYDROXY-MFCD002341653-Hydroxyisonicontinic acid3-hydroxy-4-pyridinecarboxylicacid3-hydroxy pyridine-4-carboxylic acidSCHEMBL2562774
Show more names
3-Hydroxyisonicotinicaci3-Hydroxy-4-carboxypyridine3-HydroxyisonicotinicAcid>3-hydroxypyridin-4-carboxylic acid3-Hydroxy-4-pyridinecaboxylic acid3-Hydroxy-4-pyridinecarboxylic acid ,97%
AKOS005070464CS-W001841H1377AC-907/250045113-Hydroxy-isonicotinic acid3-Hydroxy-4-pyridineca3-HydroxyisonicotinicacidFT-0615826
Database identifiers
- CAS
10128-71-9- PubChem CID
- 459503
- DTXSID
DTXSID10332662
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 137
Physicochemical properties
- Melting point
- 317 · 317-319(dec.)
- Boiling point
- 519.3 · 519.3±35.0 °C(Predicted)
- Density
- 1.485 · 1.485±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 0.51 · 0.51±0.10(Predicted)
- form
- Solid
- color
- Light yellow to Brown
- Water Solubility
- Soluble in methanol. Slightly soluble in water.
- InChI
- 1S/C6H5NO3/c8-5-3-7-2-1-4(5)6(9)10/h1-3,8H,(H,9,10)
- InChIKey
- JEHGATQUCUYHJL-UHFFFAOYSA-N
- SMILES
- OC(=O)c1ccncc1O
- CAS DataBase Reference
- 10128 · 10128-71-9(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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]
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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 29333990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses3-Hydroxyisonicotinic Acid is used in the preparation of chelating agents for iron and aluminum.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Related reactions
3 records
Compound notes
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