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1-METHYL-3-TRIFLUOROMETHYLPYRAZOLE-5-BORONICACID

1-METHYL-3-TRIFLUOROMETHYLPYRAZOLE-5-BORONICACID structure

CAS No:
344591-91-9
Formula:
C5H6BF3N2O2
Chemical Name:
1-METHYL-3-TRIFLUOROMETHYLPYRAZOLE-5-BORONICACID
Synonyms:
1-METHYL-3-TRIFLUOROMETHYLPYRAZOLE-5-BORONIC ACID;3-(trifluoroMethyl)-1-Methyl-1H-pyrazol-5-yl-5-boronic acid;B-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-Boronic acid;Boronic acid, B-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-;AKOS BRN-1191;1-Methyl-3-(trifluoromethyl)-1H-pyrazole-5-boronic acid;5-Borono-1-methyl-3-(trifluoromethyl)-1H-pyrazole;(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)boronic acid
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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1-METHYL-3-TRIFLUOROMETHYLPYRAZOLE-5-BORONICACID Basic Attributes

Molecular Weight：

193.92

Exact Mass：

194.0474421

DSSTox ID：

DTXSID80476603

HScode：

2933199090

Characteristics

PSA：

58.28000

XLogP3：

-0.88130

Density：

1.46±0.1 g/cm3

Melting Point：

132-137°C

Boiling Point：

311.3±52.0 °C(Predicted)

Flash Point：

142.042ºC

Refractive Index：

1.463

PKA：

6.97±0.58

Safety Information

wgk germany：

GHS Classification：

|Warning|H302 (98.74%): 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 159 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:193.92
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:194.0474421
Monoisotopic Mass:194.0474421
Topological Polar Surface Area:58.3
Heavy Atom Count:13
Complexity:189
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1-METHYL-3-TRIFLUOROMETHYLPYRAZOLE-5-BORONIC ACID 98% white powder API Intermediate Producer- Greenbo

CAS No.: 344591-91-9

Grade: Pharmaceutical Grade

Content: 98%

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Guide of 1-METHYL-3-TRIFLUOROMETHYLPYRAZOLE-5-BORONICACID

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