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

HCID 2773987CAS 761446-44-0

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Grundinformationen

Standard-SMILES: Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1
InChIKey: UCNGGGYMLHAMJG-UHFFFAOYSA-N
Summenformel: C10H17BN2O2
Durchschnittliche Molmasse: 208,07 g/mol
Monoisotopische Masse: 208,13830818

Namen und Bezeichner

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

Namen und Synonyme

761446-44-01-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleDTXSID40378816RefChem:76305DTXCID40329843616-293-91-Methylpyrazole-4-boronic acid pinacol esterMFCD037892591-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole1-methyl-1h-pyrazole-4-boronic acid pinacol ester1H-PYRAZOLE, 1-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Weitere Namen anzeigen

1-Methyl-4-(4e-4-boronic acid pinacoL1-Methylpyrazole-4-boroni...1-Methyl-4-(4,4,5,5-TetramethyTranexamic Acid Impurity 27-13C2

1-Methyl-4-pyrazole boronic acid pinacol ester1-methyl-pyrazole-4-boronic acid pinacol esterAKOS0052590081-Methy-4-(4,4,5,5,-tertamethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2yl)-1H-pyrazole4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1-METHYLPYRAZOLE1-?Methyl-?4-?(4,?4,?5,?5-?tetramethyl-?1,?3,?2-?dioxaborolan-?2-?yl)?-?1H-?pyrazole; (1-Methyl-1H-pyrazol-4-yl)boronic Acid Pinacol Ester;1-METHYL-4-1H-PYRAZOLEBORONIC ACID, PINACOL ESTER;1-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-1H-PYRAZOLE;1-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE;1-METHYL-1H-PYRAZOLE-4-BORONIC ACID PINACOL ESTER;1-METHYLPYRAZOLE-4-BORO

Datenbank-Bezeichner

CAS: 761446-44-0
PubChem CID: 2773987
DTXSID: DTXSID40378816
EC Number: 616-293-9
Nikkaji: J2.139.002J

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: 59 · 59-64 °C(lit.)
Siedepunkt: 308.3 · 308.3±15.0 °C(Predicted)
Dichte: 1.05 · 1.05±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform (slightly), Methanol (Slightly)
pka: 2.09 · 2.09±0.10(Predicted)
Aggregatzustand: Crystals
Farbe: Off-white to yellow
Wasserlöslichkeit: Slightly soluble in water.
InChI: InChI=1S/C10H17BN2O2/c1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8/h6-7H,1-5H3
InChIKey: UCNGGGYMLHAMJG-UHFFFAOYSA-N
SMILES: N1(C)C=C(B2OC(C)(C)C(C)(C)O2)C=N1
CAS Datenbank: 761446 · 761446-44-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (98.2%): 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 56 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.