Ethyl 5-chloropyrazolo(1,5-a)pyrimidine-3-carboxylate

HCID 58063474

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 1224944-77-7
Standard-SMILES: CCOC(=O)c1cnn2ccc(Cl)nc12
InChIKey: UOZKVCQDLXBWBG-UHFFFAOYSA-N
Summenformel: C9H8ClN3O2
Durchschnittliche Molmasse: 225,63 g/mol
Monoisotopische Masse: 225,03050418

Namen und Bezeichner

Bevorzugter Name: Ethyl 5-chloropyrazolo(1,5-a)pyrimidine-3-carboxylate
IUPAC: ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate
Englischer Name: Ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate
Summenformel: C9H8ClN3O2
Molmasse: 225.63

Namen und Synonyme

ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate1224944-77-7DTXSID10728728Ethyl 5-chloropyrazolo(1,5-a)pyrimidine-3-carboxylateRefChem:344327DTXCID00679472892-324-1MFCD12407819Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 5-chloro-, ethyl esterUOZKVCQDLXBWBG-UHFFFAOYSA-NSCHEMBL402500ETHYL5-CHLOROPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLATE

Weitere Namen anzeigen

Loptinib intermediate5-chloropyrazolo[1,5-a]pyriMidine-3-carboxylate5-chloropyrazole[1,5-a]pyrimidine-3-ethylformatethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylateChloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl esteChloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester5-Chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl este5-Chloro-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester

CS-D0465AKOS015969059DS-0935FE44325PB24026AC-31284SY046548DB-360527

Datenbank-Bezeichner

CAS: 1224944-77-7
PubChem CID: 58063474
DTXSID: DTXSID10728728
EC Number: 892-324-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 56,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 15
Formalladung: 0
Komplexität: 252

Physikochemische Eigenschaften

Dichte: 1.47 · 1.47±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -2.44 · -2.44±0.40(Predicted)
InChI: InChI=1S/C9H8ClN3O2/c1-2-15-9(14)6-5-11-13-4-3-7(10)12-8(6)13/h3-5H,2H2,1H3
InChIKey: UOZKVCQDLXBWBG-UHFFFAOYSA-N
SMILES: C12=C(C(OCC)=O)C=NN1C=CC(Cl)=N2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H302 (50%): 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 (50%)

Sicherheitsdaten

hs_code: 2933599590

Chemie und Industrie

Anwendungen

VerwendenEthyl 5-Chloropyrazolo[1,5-a]pyrimidine-3-carboxylate is used in preparation of antitumor pyrazolopyrimidine compound and it intermediates.