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3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE)-PYRAZOLE

3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE)-PYRAZOLE structure

CAS No:
844501-71-9
Formula:
C9H15BN2O2
Chemical Name:
3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE)-PYRAZOLE
Synonyms:
3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-1H-PYRAZOLE;3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE-2-YL)PYRRAZOLE;3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE)-PYRAZOLE;3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOLONE)-PYRAZOLE;3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOLONE)-PYRRAZOLE;1H-Pyrazole-5-boronic acid pinacol ester;1H-Pyrazole-3-boronic acid pinacol ester, 95%;PYRAZOLE-3-BORONIC ACID PINACOL ESTER
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE)-PYRAZOLE Basic Attributes

Molecular Weight：

194.04

Exact Mass：

194.1226579

Characteristics

PSA：

47.14000

XLogP3：

0.70890

Density：

1.09±0.1 g/cm3

Melting Point：

105-108°C

Boiling Point：

335.4±15.0 °C(Predicted)

Flash Point：

156.628ºC

Refractive Index：

1.487

Water Solubility：

Insoluble in water.

PKA：

14.02±0.10

Safety Information

hazard class code：

25-36/37/38

safety instructions：

45-37-26

Marks：

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.|Warning|H302 (14.29%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:194.04
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:194.1226579
Monoisotopic Mass:194.1226579
Topological Polar Surface Area:47.1
Heavy Atom Count:14
Complexity:217
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-(4,4,5,5-Tetramethyl-[1,3,2]Dioxaborolan-2-yl)-1H-Pyrazole 844501-71-9

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Guide of 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE)-PYRAZOLE

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Characteristics
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