Pyridazine-3-carboxylic acid

HCID 269369

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Basic information

CAS: 2164-61-6
Standard SMILES: O=C(O)c1cccnn1
InChIKey: RUUOPSRRIKJHNH-UHFFFAOYSA-N
Molecular formula: C5H4N2O2
Average molar mass: 124.1 g/mol
Monoisotopic mass: 124.02727737

Names & identifiers

Preferred name: Pyridazine-3-carboxylic acid
IUPAC: pyridazine-3-carboxylic acid
English name: 3-Pyridazinecarboxylic acid
Molecular formula: C5H4N2O2
Molecular weight: 124.1

Names & synonyms

PYRIDAZINE-3-CARBOXYLIC ACID2164-61-6RefChem:870548688-382-03-Pyridazinecarboxylic acid3-CarboxypyridazineMFCD016463333-Pyridazine carboxylic acid3-Pyridazinecarboxylicacidpyridazine carboxylic acidSCHEMBL28293NSC110335

Show more names

NSC 110335Pyridazine-3-carboxylic a...2-(nitromethyl)-1-cyclohexanolPyridazine-3-carboxylicacid,97%Pyridazine-3-carboxylic acid 96%3-Carboxypyridazine, 3-Carboxy-1,2-diazine

CS-W004823NSC-110335PS-3253U 27136217447-50-2Z12016212683-PIPERIDINOBENZOICACIDEC-000.1275

Database identifiers

CAS: 2164-61-6
PubChem CID: 269369
DTXSID: DTXSID80296601
ChEMBL: CHEMBL395179
UNII: 76DXK4XC7R
EC Number: 688-382-0
Nikkaji: J293.834K

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 63.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 116

Physicochemical properties

Melting point: 200 · 200-209 °C
Boiling point: 404.2 · 404.2±18.0 °C(Predicted)
Density: 1.403 · 1.403±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: solid
pka: 3.65 · 3.65±0.10(Predicted)
color: Light yellow
Sensitive: Moisture Sensitive
CAS DataBase Reference: 2164 · 2164-61-6
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29339900 · 29339900

Safety & regulation

GHS classification

GHS Classification · 4 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 41 reports by companies from 4 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: 29339900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses3-Pyridazinecarboxylic Acid is the pyridazine analog of Nicotinic Acid (N429250). 3-Pyridazinecarboxylic Acid competitively inhibits the growth of Lactobacillus arabinosus