5-Chloro-6-hydroxynicotinic acid
Basic information
- CAS
54127-63-8- Standard SMILES
O=C(O)c1c[nH]c(=O)c(Cl)c1- InChIKey
OLTRUTPHSBQWAZ-UHFFFAOYSA-N- Molecular formula
- C6H4ClNO3
- Average molar mass
- 173.55 g/mol
- Monoisotopic mass
- 172.98797067
Names & identifiers
- Preferred name
- 5-Chloro-6-hydroxynicotinic acid
- IUPAC
- 5-chloro-6-oxo-1H-pyridine-3-carboxylic acid
- English name
- 5-Chloro-6-hydroxynicotinic Acid
- Molecular formula
- C6H4ClNO3
- Molecular weight
- 173.55
Names & synonyms
5-Chloro-6-hydroxynicotinic acid54127-63-8DTXSID60344795RefChem:102359DTXCID20295870628-466-6OLTRUTPHSBQWAZ-UHFFFAOYSA-N3-Chloro-2-hydroxypyridine-5-carboxylic acid5-chloro-6-hydroxypyridine-3-carboxylic acid5-Chloro-6-hydroxy-3-pyridinecarboxylic Acid5-chloro-6-oxo-1H-pyridine-3-carboxylic acidMFCD00052950
Show more names
TIMTEC-BB SBB003814Avatrombopag Impurity 53Nicotinic Acid Impurity 16oro-6-hydroxynicotinic Acid5-Chloro-6-hydroxynicotinicaci5-Chloro-6-hydroxynicotinicacid,98%5-Chloro-6-hydroxynicotinic acid 98%5-Chloro-6-hydroxynicotinic Acid >5-CHLORO-6-HYDROXY-3-PYRIDINECARBOXYLIC ACID
3-PYRIDINECARBOXYLIC ACID, 5-CHLORO-1,6-DIHYDRO-6-OXO-SCHEMBL1992215-CHLORO-6-OXO-1,6-DIHYDROPYRIDINE-3-CARBOXYLIC ACIDAKOS023203854C17585-Chloro-6-hydroxynicotinicacidMixCom3_000058Tripelennami
Database identifiers
- CAS
54127-63-8- PubChem CID
- 599541
- DTXSID
DTXSID60344795- UNII
- R3KAC48GSK
- EC Number
- 628-466-6
- Nikkaji
- J2.786.926B
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Melting point
- 300 °C · ≥300 °C(lit.)
- Boiling point
- 334.6 · 334.6±42.0 °C(Predicted)
- Density
- 1.4914 · 1.4914 (rough estimate)
- refractive index
- 1.581 · 1.5810 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 3.38 · 3.38±0.50(Predicted)
- color
- White to Light yellow to Light orange
- CAS DataBase Reference
- 54127 · 54127-63-8(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi,Xn
- Risk Statements
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 46 reports by companies from 6 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
- 3
- hs_code
- 2933399990
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-37/39-36
- Hazard statements
- H315-H319-H335
- 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
Uses5-Chloro-6-hydroxynicotinic acid serves as a ligand for exploring structure–biological activity relationships of triphenyltin esters[2]. It reacts with Ph3SnCl and sodium ethoxide in 1:1:1 stoichiometry to form a triphenyltin compound, and with (R3Sn)2O (R = Ph, 2-ClC6H4CH2, 2-FC6H4CH2, 4-CNC6H4CH2) in 1:2 stoichiometry to yield triorganotin compounds[2][3].
Upstream & downstream products
Downstream products
Related reactions
3 records
Compound notes
Loading…