3(2H)-Pyridazinone, 4,5-dichloro-2-methyl-

HCID 120462

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Grundinformationen

CAS: 933-76-6
Standard-SMILES: Cn1ncc(Cl)c(Cl)c1=O
InChIKey: ACKBTCUMGAHRIE-UHFFFAOYSA-N
Summenformel: C5H4Cl2N2O
Durchschnittliche Molmasse: 179 g/mol
Monoisotopische Masse: 177,97006811

Überblick

4,5-Dichloro-2-methyl-3(2H)-pyridazinone is a pyridazinone.

Namen und Bezeichner

Bevorzugter Name: 3(2H)-Pyridazinone, 4,5-dichloro-2-methyl-
IUPAC: 4,5-dichloro-2-methylpyridazin-3-one
Englischer Name: 4,5-Dichloro-2-methylpyridazin-3-one
Summenformel: C5H4Cl2N2O
Molmasse: 179

Namen und Synonyme

933-76-64,5-Dichloro-2-methyl-3(2H)-pyridazinone3(2H)-Pyridazinone, 4,5-dichloro-2-methyl-BRN 0127609DTXSID802393765-24-02-00023 (Beilstein Handbook Reference)RefChem:484774DTXCID00161867628-178-04,5-dichloro-2-methylpyridazin-3(2h)-one4,5-Dichloro-2-methylpyridazin-3-oneMFCD00051686

Weitere Namen anzeigen

AKOS B029262Emorfazone int4,5-dichloro-2-methylpyridazine-3-one5-Dichloro-2-Methyl-3(2H)-pyridazinone5-Dichloro-2-methylpyridazin-3(2H)-one4,5-dichloro-2-methyl-3(2h)-pyridazinon

4,5-DICHLORO-2-METHYL-2,3-DIHYDROPYRIDAZIN-3-ONE4,5-Dichloro-2-methyl-2H-pyridazin-3-one2-Methyl-4,5-dichloro-3-pyridazinone4,5-dichloro-2-methyl-2-hydropyridazin-3-one2-Methyl-4,5-dichloro-3(2H)-pyridazinon; 4,5-Dichloro-2-methyl-2H-pyridazin-3-one4,5-dichloro-2-methyl-pyridazin-3-oneA1ENESCHEMBL979278

Datenbank-Bezeichner

CAS: 933-76-6
PubChem CID: 120462
DTXSID: DTXSID80239376
ChEMBL: CHEMBL3228742
ChEBI: CHEBI:194728
EC Number: 628-178-0
Nikkaji: J713.010D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 32,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 234

Physikochemische Eigenschaften

Schmelzpunkt: 87 · 87-91 °C(lit.)
Siedepunkt: 197.2 · 197.2±50.0 °C(Predicted)
Dichte: 1.55 · 1.55±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: soluble in Ethanol
Aggregatzustand: powder to crystal
pka: -3.57 · -3.57±0.20(Predicted)
Farbe: White to Orange to Green
InChI: InChI=1S/C5H4Cl2N2O/c1-9-5(10)4(7)3(6)2-8-9/h2H,1H3
InChIKey: ACKBTCUMGAHRIE-UHFFFAOYSA-N
SMILES: C1(=O)N(C)N=CC(Cl)=C1Cl

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (97.6%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 29339980
RTECS-Nr.: UR6188000
risk_code: 22-36/37/38-43
hazard_code: Xn
safety_code: 26-36
hazard_class: 6.1
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden4,5-Dichloro-2-methyl-3(2H)-pyridazinone can be used in the synthesis of 4-amino-3(2H)-pyridazinones and 5-amino-3(2H)-pyridazinones via reaction with N-benzylaminoethanol.