1-Cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

HCID 59327133

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Grundinformationen

CAS: 1151802-22-0
Standard-SMILES: CC1(C)OB(c2cnn(C3CC3)c2)OC1(C)C
InChIKey: NLWYVKHISUTBMY-UHFFFAOYSA-N
Summenformel: C12H19BN2O2
Durchschnittliche Molmasse: 234,1 g/mol
Monoisotopische Masse: 234,15395825

Namen und Bezeichner

Bevorzugter Name: 1-Cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
IUPAC: 1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Englischer Name: 1-Cyclopropyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
Summenformel: C12H19BN2O2
Molmasse: 234.1

Namen und Synonyme

1151802-22-01-Cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleDTXSID20731526RefChem:431931DTXCID10682270810-240-51-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazoleMFCD166590071-cyclopropyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1-Cyclopropyl-1H-pyrazole-4-boronic acid pinacol ester1-Cyclopropyl-4-(pinacolylboronate)-pyrazole1H-PYRAZOLE, 1-CYCLOPROPYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-

Weitere Namen anzeigen

1-cyc1-Cyclopropyl-1H-pyrazole-4-boronicacidpinacolester,97%1-Cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)

1-Cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-pyrazole4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-cyclopropyl-1H-pyrazoleNLWYVKHISUTBMY-UHFFFAOYSA-N1-Cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-di...1-Cyclopropylpyrazole-4-boronic Acid Pinacol EsterSCHEMBL1987497(1-CYCLOPROPYL-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTERAKOS015946259

Datenbank-Bezeichner

CAS: 1151802-22-0
PubChem CID: 59327133
DTXSID: DTXSID20731526
EC Number: 810-240-5

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 36,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 17
Formalladung: 0
Komplexität: 302

Physikochemische Eigenschaften

Siedepunkt: 354.3 · 354.3±15.0 °C(Predicted)
Dichte: 1.16 · 1.16±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 3.33 · 3.33±0.12(Predicted)
Aggregatzustand: Solid
InChI: InChI=1S/C12H19BN2O2/c1-11(2)12(3,4)17-13(16-11)9-7-14-15(8-9)10-5-6-10/h7-8,10H,5-6H2,1-4H3
InChIKey: NLWYVKHISUTBMY-UHFFFAOYSA-N
SMILES: N1(C2CC2)C=C(B2OC(C)(C)C(C)(C)O2)C=N1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 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

wgk: 3
hs_code: 2933199090
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen

Verwenden1-Cyclopropyl-4-(pinacolylboronate)-pyrazole is a triazolopyridazine compound with the potential to be used in the treatment of cancer, acting as an c-Met kinase inhibitor.