3,6-Dichloropyridazine-4-carboxylic acid

HCID 433804

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Grundinformationen

CAS: 51149-08-7
Standard-SMILES: O=C(O)c1cc(Cl)nnc1Cl
InChIKey: FRCXPDWDMAYSCE-UHFFFAOYSA-N
Summenformel: C5H2Cl2N2O2
Durchschnittliche Molmasse: 192,98 g/mol
Monoisotopische Masse: 191,94933266

Namen und Bezeichner

Bevorzugter Name: 3,6-Dichloropyridazine-4-carboxylic acid
IUPAC: 3,6-dichloropyridazine-4-carboxylic acid
Englischer Name: 3,6-Dichloropyridazine-4-carboxylic acid
Summenformel: C5H2Cl2N2O2
Molmasse: 192.99

Namen und Synonyme

3,6-Dichloropyridazine-4-carboxylic acid51149-08-7DTXSID20330952RefChem:272341DTXCID60282047628-653-23,6-dichloro-4-pyridazinecarboxylic acidMFCD000115754-Pyridazinecarboxylic acid, 3,6-dichloro-3,6-dichloro-4-carboxy-pyridazine3,6-Dichloropyridazine-4-carboxylicacidEnamine_001708

Weitere Namen anzeigen

IFLAB-BB F3111-00703,6-DICHLOROPYRIDAZINE-4-CA3,6-Dichloro-4-pyridazine...3,6-Dichloropyridazine-4-Carbo4-Carboxy-3,6-dichloropyridazine3,6-DICHLOROPYRIDAZINE-4-CARBOXYLIC3,6-DICHLOROPYRIDAZINECARBOXYLIC ACID6-Dichloropyridazine-4-carboxylic acid3,6-Dichlorpyridazine-4-carboxylic acid

AM20100256FT-0600407SCHEMBL104396SCHEMBL294128813,6-Dichloropyridazine-4-carboxyFRCXPDWDMAYSCE-UHFFFAOYSA-NHMS1398N14SBB028516

Datenbank-Bezeichner

CAS: 51149-08-7
PubChem CID: 433804
DTXSID: DTXSID20330952
EC Number: 628-653-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 63,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 167

Physikochemische Eigenschaften

Schmelzpunkt: 142 °C · 142 °C (dec.) (lit.)
Siedepunkt: 424.8 · 424.8±40.0 °C(Predicted)
Dichte: 1.718 · 1.718±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
pka: 0.59 · 0.59±0.32(Predicted)
Aggregatzustand: Powder or Crystalline Powder
Farbe: White to off-white
BRN: 610056 · 610056
InChI: InChI=1S/C5H2Cl2N2O2/c6-3-1-2(5(10)11)4(7)9-8-3/h1H,(H,10,11)
InChIKey: FRCXPDWDMAYSCE-UHFFFAOYSA-N
SMILES: C1(Cl)=NN=C(Cl)C=C1C(O)=O
CAS Datenbank: 51149 · 51149-08-7(CAS DataBase Reference)

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 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.