Grundinformationen
- Standard-SMILES
Cc1ccc(Cl)nn1- InChIKey
PRORLQAJNJMGAR-UHFFFAOYSA-N- Summenformel
- C5H5ClN2
- Durchschnittliche Molmasse
- 128,56 g/mol
- Monoisotopische Masse
- 128,0141259
Namen und Bezeichner
- Bevorzugter Name
- 3-Chloro-6-methylpyridazine
- IUPAC
- 3-chloro-6-methylpyridazine
- Englischer Name
- 3-Chloro-6-methylpyridazine
- Summenformel
- C5H5ClN2
- Molmasse
- 128.56
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1121-79-5- PubChem CID
- 227254
- DTXSID
DTXSID10280795- ChEBI
CHEBI:194649- UNII
- 69FY6863P4
- EC Number
- 627-952-5
- Nikkaji
- J151.404K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 25,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 76
Physikochemische Eigenschaften
- Schmelzpunkt
- 58 · 58-62 °C
- Siedepunkt
- 58 °C · 58 °C
- Dichte
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Löslichkeit
- DMSO, Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 1.26 · 1.26±0.10(Predicted)
- Farbe
- Pale Beige
- BRN
- 108655 · 108655
- InChI
- InChI=1S/C5H5ClN2/c1-4-2-3-5(6)8-7-4/h2-3H,1H3
- InChIKey
- PRORLQAJNJMGAR-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NN=C(C)C=C1
- CAS Datenbank
- 1121 · 1121-79-5(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (89.4%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (87.2%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (87.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (12.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (10.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 47 reports by companies from 4 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
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 20/21/22-36/37/38-43-41-38-22
- hazard_code
- Xn
- hazard_note
- Harmful
- safety_code
- 26-37/39-36/37-37
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1
Chemie und Industrie
Anwendungen
Verwenden3-Chloro-6-methylpyridazine is used for preparation of heterocyclic compounds as integrase inhibiting antiviral agents.
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