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5-Trifluoromethyl-pyridine-3-boronicacid

5-Trifluoromethyl-pyridine-3-boronicacid structure

CAS No:
947533-51-9
Formula:
C6H5BF3NO2
Chemical Name:
5-Trifluoromethyl-pyridine-3-boronicacid
Synonyms:
5-Trifluoromethyl-pyridine-3-boronic acid;3-trifluoromethyl-5-pyridyl boronic acid;(5-Trifluoromethylpyridin-3-yl)boronic acid, 95%;5-TRIFLUOROMETHYL-PYRIDINE-3-BORONIC ACI;BP 33117 5-TRIFLUOROMETHYL-PYRIDINE-3-BORONIC ACID;3-Borono-5-(trifluoromethyl)pyridine;5-TrifluoroMethyl-3-pyridineboric acid;[5-(Trifluoromethyl)-3-pyridyl]boronic acid
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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5-Trifluoromethyl-pyridine-3-boronicacid Basic Attributes

Molecular Weight：

190.92

Exact Mass：

191.0365431

DSSTox ID：

DTXSID60669793

HScode：

2933399090

Characteristics

PSA：

53.35000

XLogP3：

-0.21980

Density：

1.44±0.1 g/cm3

Melting Point：

300.8 °C (decomp)

Boiling Point：

299.9±50.0 °C(Predicted)

Flash Point：

135.2ºC

PKA：

5.90±0.10

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:190.92
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:191.0365431
Monoisotopic Mass:191.0365431
Topological Polar Surface Area:53.4
Heavy Atom Count:13
Complexity:176
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 947533-51-9

Grade: Industrial Grade

Content: 99%

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Guide of 5-Trifluoromethyl-pyridine-3-boronicacid

Basic Attributes
Characteristics
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Computed Properties
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