CAS 1837-55-4 3,5-Dichloropyridazine (HCID 19959687)

Namen und Bezeichner

Bevorzugter Name: 3,5-Dichloropyridazine
IUPAC: 3,5-dichloropyridazine
Englischer Name: 3,5-Dichloropyridazine
Summenformel: C4H2Cl2N2
Molmasse: 148.98

Namen und Synonyme

3,5-Dichloropyridazine1837-55-4DTXSID20601477RefChem:271701DTXCID80552234692-072-03,5-Dichloro-pyridazineMFCD106980483,5-Dichlor-pyridazinPYRIDAZINE, 3,5-DICHLORO-SCHEMBL400310CHEBI:194771

Weitere Namen anzeigen

SA0295195-DichloropyridazinePyridazine,3,5-dichloro-3,5-Dichloropyridazine>3,5-Dichloropyridazine ISO 9001：2015 REACH

CS-D0778AB61136AC-25155AS-18922D4447EN300-96061Z1198278268BCP22319

Datenbank-Bezeichner

CAS: 1837-55-4
PubChem CID: 19959687
DTXSID: DTXSID20601477
ChEBI: CHEBI:194771
UNII: 74Q8S45BRC
EC Number: 692-072-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 25,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 78

Physikochemische Eigenschaften

Schmelzpunkt: 60 to · 60.0 to 64.0 °C
Siedepunkt: 280.8 · 280.8±20.0 °C(Predicted)
Dichte: 1.493 · 1.493±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: DMSO (Sparingly), Methanol (Slightly)
Aggregatzustand: Solid
pka: -0.25 · -0.25±0.10(Predicted)
Farbe: Yellow to Dark Orange
InChI: InChI=1S/C4H2Cl2N2/c5-3-1-4(6)8-7-2-3/h1-2H
InChIKey: JZSAUQMXKHBZEO-UHFFFAOYSA-N
SMILES: C1(Cl)=NN=CC(Cl)=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302+H312+H332 (82.4%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (97.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (88.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (97.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (88.2%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (94.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 34 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (97.1%)；Acute Tox. 4 (88.2%)；Skin Irrit. 2 (97.1%)；Eye Irrit. 2A (97.1%)；Acute Tox. 4 (88.2%)；STOT SE 3 (94.1%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 29339900
risk_code: 22
hazard_code: Xn
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 Oral

Chemie und Industrie

Anwendungen

Verwenden3,5-Dichloropyridazine used in the treatment of asthma and allergy. Potential for antinociceptive and antiinflammatory effects

Darstellung · 1 Eintrag

synthetischePreparation of 3,5-Dichloropyridazine:2,4,4,4-Tetrachlorocrotonaldehyde is dissolved in a solvent, and a mixture of semicarbazide hydrochloride, water, and solvent is added dropwise under controlled temperature conditions. The reaction is stirred for 5 hours. Afterward, the reaction mixture is concentrated under reduced pressure to remove the solvent. Water is added, and the temperature is lowered to 5°C, allowing a solid to precipitate. The solid is filtered and recrystallized using a dichloromethane/petroleum ether mixture, yielding 3,5-dichloropyridazine as a white crystalline solid.