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1-Methyl-1H-pyrazole-5-boronicacidpinacolester

1-Methyl-1H-pyrazole-5-boronicacidpinacolester structure

CAS No:
847818-74-0
Formula:
C10H17BN2O2
Chemical Name:
1-Methyl-1H-pyrazole-5-boronicacidpinacolester
Synonyms:
1-METHYL-5-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-1H-PYRAZOLE;1-METHYL-1H-PYRAZOLE-5-BORONIC ACID PINACOL ESTER;1-Methyl-1H-pyrazole-5-boronic acid pinacol;1-Methyl-1H-pyrazole-5-boronic acid pinacol ester 1-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;2-(1-Methyl-1H-pyrazol-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrazole;1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-Methyl-1H-pyrazole-3-boronic acid pinacol ester
Categories:
Organic Chemistry > Coordination Complexes

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1-Methyl-1H-pyrazole-5-boronicacidpinacolester Basic Attributes

Molecular Weight：

208.07

Exact Mass：

208.1383080

DSSTox ID：

DTXSID80406728

HScode：

2934999090

Characteristics

PSA：

36.28000

XLogP3：

0.71930

Density：

1.05±0.1 g/cm3

Melting Point：

67-71 °C

Boiling Point：

308.3±15.0 °C(Predicted)

Flash Point：

168.5ºC

Refractive Index：

1.505

Water Solubility：

Slightly soluble in water.

PKA：

1.94±0.10

Safety Information

Hazard category：

IRRITANT

wgk germany：

hazard class code：

22-36/37/38

safety instructions：

Marks：

GHS Classification：

|Warning|H302 (97.62%): 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 42 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:208.07
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:208.1383080
Monoisotopic Mass:208.1383080
Topological Polar Surface Area:36.3
Heavy Atom Count:15
Complexity:242
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1-Methyl-1H-pyrazole-5-boronic acid pinacol ester

CAS No.: 847818-74-0

Content: 99.00%

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