Methyl pyridazine-4-carboxylate

HCID 12439252

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Grundinformationen

CAS: 34231-77-1
Standard-SMILES: COC(=O)c1ccnnc1
InChIKey: IJFLWNYKGMQQOW-UHFFFAOYSA-N
Summenformel: C6H6N2O2
Durchschnittliche Molmasse: 138,12 g/mol
Monoisotopische Masse: 138,04292743

Namen und Bezeichner

Bevorzugter Name: Methyl pyridazine-4-carboxylate
IUPAC: methyl pyridazine-4-carboxylate
Englischer Name: Pyridazine-4-carboxylic acid methyl ester
Summenformel: C6H6N2O2
Molmasse: 138.12

Namen und Synonyme

Methyl Pyridazine-4-carboxylate34231-77-1DTXSID30498310RefChem:356850DTXCID30449120851-018-8MFCD09953488PYRIDAZINE-4-CARBOXYLIC ACID METHYL ESTER4-PYRIDAZINECARBOXYLIC ACID, METHYL ESTERmethylpyridazine-4-carboxylatemethyl 4-pyridazinecarboxylateMethyl pyridazine-4-carboxylate, 97%

Weitere Namen anzeigen

4-MethoxycarbonylpyridazineMethyl pyridazin-4-carboxylateMethyl pyridazine-4-carboxylate, 96%4-Pyridazinecarboxylic acid methyl estermethyl pyridazine-4-carboxylate - [M12256]Pyridazine-4-carboxylic acid methyl ester ISO 9001：2015 REACH

AC-4414SY004472EN300-2546524-MethoxycarbonylpAMY24958BCP22435FT-0717698R2U2BP7FKV

Datenbank-Bezeichner

CAS: 34231-77-1
PubChem CID: 12439252
DTXSID: DTXSID30498310
UNII: R2U2BP7FKV
EC Number: 851-018-8
Nikkaji: J293.838C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,3
Polarare Oberfläche (TPSA): 52,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 127

Experimentelle und physikochemische Eigenschaften

LogP-0.27

Physikochemische Eigenschaften

Schmelzpunkt: 64 · 64-67℃
Siedepunkt: 281.3 · 281.3±13.0 °C(Predicted)
Dichte: 1.213 · 1.213±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 0.67 · 0.67±0.10(Predicted)
Aggregatzustand: solid
Wasserlöslichkeit: Slightly soluble in water.
InChI: InChI=1S/C6H6N2O2/c1-10-6(9)5-2-3-7-8-4-5/h2-4H,1H3
InChIKey: IJFLWNYKGMQQOW-UHFFFAOYSA-N
SMILES: C1=NN=CC=C1C(OC)=O

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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: nwg
hs_code: 2933998090
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen

VerwendenIt is used to produce 4-Pyridazincarbohydroxamsaeure by heating and requires a reagent hydroxylammoniumchloride and Na2CO3. Meanwhile, it needs solvent methanol.