4-Chloropyrido(3,4-d)pyrimidine
Grundinformationen
- CAS
51752-67-1- Standard-SMILES
Clc1ncnc2cnccc12- InChIKey
UKTHPAHJCQLABU-UHFFFAOYSA-N- Summenformel
- C7H4ClN3
- Durchschnittliche Molmasse
- 165,58 g/mol
- Monoisotopische Masse
- 165,0093748
Namen und Bezeichner
- Bevorzugter Name
- 4-Chloropyrido(3,4-d)pyrimidine
- IUPAC
- 4-chloropyrido[3,4-d]pyrimidine
- Englischer Name
- Pyrido[3,4-d]pyrimidine, 4-chloro-
- Summenformel
- C7H4ClN3
- Molmasse
- 165.58
Namen und Synonyme
4-Chloropyrido[3,4-d]pyrimidine51752-67-14-chloropyrido(3,4-d)pyrimidineDTXSID60483456RefChem:292169DTXCID60434266859-760-4Pyrido[3,4-d]pyrimidine, 4-chloro-MFCD099991844-chloro-pyrido[3,4-d]pyrimidineSCHEMBL244857CS-D0276
Weitere Namen anzeigen
4-chloropyrido[3,4-d]pyrimidine hydrochloride
AKOS006304979PB19089AMY23618DS-10611SY039396EN300-92227F076226F8880-6273
Datenbank-Bezeichner
- CAS
51752-67-1- PubChem CID
- 12271634
- DTXSID
DTXSID60483456- EC Number
- 859-760-4
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,4
- Polarare Oberfläche (TPSA)
- 38,7 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 142
Physikochemische Eigenschaften
- Schmelzpunkt
- 108 · 108-110 °C
- Siedepunkt
- 316.1 · 316.1±22.0 °C(Predicted)
- Dichte
- 1.437 · 1.437±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 2.37 · 2.37±0.30(Predicted)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- hs_code
- 2933998090
Chemie und Industrie
Anwendungen
Verwenden4-Chloropyrido[3,4-d]pyrimidine is a reactant used in the synthesis of isomeric 4-substituted aminopyrido[4,3-d]pyrimidines with cytokinin activity.
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