1-Methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid

HCID 2366695

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Grundinformationen

CAS: 100047-66-3
Standard-SMILES: Cn1nc(C(=O)O)ccc1=O
InChIKey: VSWNRKPYWTWWBV-UHFFFAOYSA-N
Summenformel: C6H6N2O3
Durchschnittliche Molmasse: 154,12 g/mol

Namen und Bezeichner

Bevorzugter Name: 1-Methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
IUPAC: 1-methyl-6-oxopyridazine-3-carboxylic acid
Englischer Name: 1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
Summenformel: C6H6N2O3
Molmasse: 154.12

Namen und Synonyme

1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acidRefChem:434510815-737-01-Methyl-6-oxo-1,6-dihydro-pyridazine-3-carboxylic acid1-methyl-6-oxopyridazine-3-carboxylic acidMFCD039820443-Pyridazinecarboxylic acid, 1,6-dihydro-1-methyl-6-oxo-SCHEMBL286957STK729387F2124-0543AKOS000261884BS-13374

Weitere Namen anzeigen

1-Methyl-6-oxo-pyridazine-3-carboxylate1-Methyl-6-oxo-1,6-dihydro-pyridazine-3-carboxylicaci3-Pyridazinecarboxylicacid,1,6-dihydro-1-methyl-6-oxo-(6CI)1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid(SALTDATA: FREE)3-Pyridazinecarboxylicacid,1,6-dihydro-1-methyl-6-oxo-(6CI) ISO 9001：2015 REACH

1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylicacid1-METHYL-6-OXO-1,6-DIHYDRO-3-PYRIDAZINECARBOXYLIC ACID1-methyl-6-oxohydropyridazine-3-carboxylic acid3-pyridazinecarboxylic acid,1,6-dihydro-1-methyl-6-oxo-VSWNRKPYWTWWBV-UHFFFAOYSA-NSMSSF-0017115BBL012020SBB027409

Datenbank-Bezeichner

CAS: 100047-66-3
PubChem CID: 2366695
EC Number: 815-737-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,6
Polarare Oberfläche (TPSA): 70 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 267

Physikochemische Eigenschaften

Schmelzpunkt: 239 °C · 239 °C(Solv: water (7732-18-5))
Siedepunkt: 316.5 · 316.5±25.0 °C(Predicted)
Dichte: 1.44 · 1.44±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: -2.98 · -2.98±0.20(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.