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

HCID 4912908CAS 847818-74-0

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Grundinformationen

Standard-SMILES: Cn1nccc1B1OC(C)(C)C(C)(C)O1
InChIKey: HLXOVAMYQUFLPE-UHFFFAOYSA-N
Summenformel: C10H17BN2O2
Durchschnittliche Molmasse: 208,07 g/mol
Monoisotopische Masse: 208,13830818

Namen und Bezeichner

Bevorzugter Name: 1-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
IUPAC: 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Englischer Name: 1-Methyl-1H-pyrazole-5-boronic acid pinacol ester
Summenformel: C10H17BN2O2
Molmasse: 208.07

Namen und Synonyme

1-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleRefChem:434442628-091-8847818-74-01-Methyl-1H-pyrazole-5-boronic acid pinacol ester1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazoleMFCD058613801H-PYRAZOLE, 1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1-Methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole1-METHYLPYRAZOLE-5-BORONIC ACID PINACOL ESTERSCHEMBL332693

Weitere Namen anzeigen

1-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleCBI-BB ZERO/005567e-5-boronic Acid PinacoL1-Methyl-1H-pyrazole-5-bo...Pinacol 1-methyl-1h-pyrazole-5-boratePinacol 1-methyl-pyrazol-5-yl-boronate1-Methyl-1H-pyrazole-5-boronic acid pinacol

1H-PYRAZOLE,1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-4,4,5,5-tetramethyl-2-(1-methylpyrazol-5-yl)-1,3,2-dioxaborolane1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL1-methyl-5-(4,AM201102161-methyl-pyrazole-5-boronic acid pinacol esterCHEMBL32369001-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

Datenbank-Bezeichner

CAS: 847818-74-0
PubChem CID: 4912908
DTXSID: DTXSID80406728
ChEMBL: CHEMBL3236900
EC Number: 628-091-8
Nikkaji: J2.139.005D

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 36,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 15
Formalladung: 0
Komplexität: 242

Physikochemische Eigenschaften

Schmelzpunkt: 67 · 67-71 °C
Siedepunkt: 308.3 · 308.3±15.0 °C(Predicted)
Dichte: 1.05 · 1.05±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
pka: 1.94 · 1.94±0.10(Predicted)
Aggregatzustand: crystal
Farbe: white
Wasserlöslichkeit: Slightly soluble in water.
InChI: InChI=1S/C10H17BN2O2/c1-9(2)10(3,4)15-11(14-9)8-6-7-12-13(8)5/h6-7H,1-5H3
InChIKey: HLXOVAMYQUFLPE-UHFFFAOYSA-N
SMILES: N1(C)C(B2OC(C)(C)C(C)(C)O2)=CC=N1
CAS Datenbank: 847818 · 847818-74-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (97.7%): 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 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.