CAS 306934-80-5 6-Hydroxypyridazine-3-carboxylic Acid (HCID 305970)

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Basic information

CAS: 306934-80-5
Standard SMILES: O=C(O)c1ccc(=O)[nH]n1
InChIKey: GIFSROMQVPUQFK-UHFFFAOYSA-N
Molecular formula: C5H4N2O3
Average molar mass: 140.1 g/mol
Monoisotopic mass: 140.02219199

Names & identifiers

Preferred name: 6-Hydroxypyridazine-3-carboxylic Acid
IUPAC: 6-oxo-1H-pyridazine-3-carboxylic acid
English name: 6-Oxo-1,6-dihydro-pyridazine-3-carboxylicacid
Molecular formula: C5H4N2O3
Molecular weight: 140.1

Names & synonyms

6-hydroxypyridazine-3-carboxylic acid6-oxo-1,6-dihydropyridazine-3-carboxylic acidDTXSID70308343RefChem:543442DTXCID00259470675-237-1805-849-837972-69-36-Hydroxy-3-pyridazinecarboxylic acid6-Oxo-1,6-dihydro-pyridazine-3-carboxylic acid6-oxo-1H-pyridazine-3-carboxylic acid3-Hydroxypyridazine-6-carboxylic acid

Show more names

4-hydroxypyriMidine-2-carboxylic acid3-hydroxypyridazine-6-car...1,6-dihydro-6-ox-3-darbazinate6-keto-1H-pyridazine-3-carboxylic acid6-Hydroxypyridazine-3-carboxylic acid 98%

MFCD090649366-Hydroxy-pyridazine-3-carboxylic acid3-pyridazinecarboxylic acid, 1,6-dihydro-6-oxo-6-Oxo-1,6-dihydro-3-pyridazinecarboxylic acidNSC2031756-carboxy-3(2H)-pyridazone6-Carboxy-3(2H)-pyridazinoneAKOS000261935

Database identifiers

CAS: 306934-80-5、37972-69-3
PubChem CID: 305970
DTXSID: DTXSID70308343
ChEMBL: CHEMBL1213607
EC Number: 675-237-1、805-849-8
Nikkaji: J39.652D

Properties

Computed structural properties

XLogP: -0.8
Topological polar surface area: 78.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 241

Physicochemical properties

Melting point: 246 °C · 246 °C
Density: 1.63 · 1.63±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: -2.86 · -2.86±0.20(Predicted)
Appearance: White to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HazardClass: IRRITANT
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 6 items

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]