6-Chloropyridazin-3-ol

HCID 252828CAS 19064-67-6

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Grundinformationen

Standard-SMILES: O=c1ccc(Cl)n[nH]1
InChIKey: YICPBKWYZXFJNB-UHFFFAOYSA-N
Summenformel: C4H3ClN2O
Durchschnittliche Molmasse: 130,53 g/mol
Monoisotopische Masse: 129,9933904

Namen und Bezeichner

Bevorzugter Name: 6-Chloropyridazin-3-ol
IUPAC: 3-chloro-1H-pyridazin-6-one
Englischer Name: 6-Chloropyridazin-3-ol
Summenformel: C4H3ClN2O
Molmasse: 130.53

Namen und Synonyme

6-chloropyridazin-3-olDTXSID30291363RefChem:1073895DTXCID8024250719064-67-66-Chloro-3-hydroxypyridazine6-chloropyridazin-3(2H)-one3(2H)-Pyridazinone, 6-chloro-3-Chloro-6-hydroxypyridazine6-chloro-2H-pyridazin-3-one6-Chloro-3(2H)-pyridazinone3-chloro-1H-pyridazin-6-one

Weitere Namen anzeigen

Nsc750716-Chloropyridazine-3-ol6-Chloro-3-hydroxypyridaz...

3-Chloro-6-pyridazoneMFCD001604603-Hydroxy-6-chloropyridazine6-Chloro-3(2H)pyridazinone6-Chloro-3-pyridazinol6-chloro-2,3-dihydropyridazin-3-oneMLS0007368186-chloropyridazin-3(2 H)-one

Datenbank-Bezeichner

CAS: 19064-67-6
PubChem CID: 252828
DTXSID: DTXSID30291363
ChEMBL: CHEMBL1385200
UNII: E2DZ9GC2KF
EC Number: 678-370-3
Nikkaji: J100.420D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 41,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 173

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physikochemische Eigenschaften

Schmelzpunkt: 140 to · 140.0 to 144.0 °C
Dichte: 1.55 · 1.55±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: 9.8 · 9.80±0.40(Predicted)
Farbe: White to Almost white
InChI: InChI=1S/C4H3ClN2O/c5-3-1-2-4(8)7-6-3/h1-2H,(H,7,8)
InChIKey: YICPBKWYZXFJNB-UHFFFAOYSA-N
SMILES: C1(=O)NN=C(Cl)C=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (20%)

Sicherheitsdaten

hs_code: 2933998090
risk_code: 22
hazard_code: Xn
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 Oral

Chemie und Industrie

Anwendungen

Verwenden6-Chloropyridazin-3-ol is a white to almost white powder or crystal, which can be used as a raw material for organic synthesis or as a pharmaceutical intermediate.