(4-Chlorophenyl)boronic acid
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(4-Chlorophenyl)boronic acid
structure -
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CAS No:
1679-18-1
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Formula:
C6H6BClO2
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Chemical Name:
(4-Chlorophenyl)boronic acid
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Synonyms:
Boronic acid,B-(4-chlorophenyl)-;Benzeneboronic acid,p-chloro-;Boronic acid,(4-chlorophenyl)-;B-(4-Chlorophenyl)boronic acid;(p-Chlorophenyl)boronic acid;p-Chlorobenzeneboronic acid;4-Chlorobenzeneboronic acid;(4-Chlorophenyl)boronic acid;NSC 25408
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CAS No:
Characteristics
40.5
0.01980
White - off-white powder.
1.32±0.1 g/cm3(Predicted)
260 °C
295.4±42.0 °C(Predicted)
132.4±27.9 °C
1.558
2.5 g/100 mL
Refrigerator (+4ºC)
0.000693mmHg at 25°C
Safety Information
IRRITANT
NONH for all modes of transport
3
R36/37/38
36-37/39-26
CY8950000
Xn,Xi
Stable under normal temperatures and pressures.
P280
H302 + H312 + H332
|Warning|H302 (85.71%): 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|Aggregated GHS information provided by 60 companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
(4-Chlorophenyl)boronic acid Use and Manufacturing
suzuki reaction 4-Chlorobenzeneboronic Acid is used as a catalyst for the preparation of 4-hydroxycoumarin derivatives which display antitrypanosomal and antioxidant properties. It is also used as a catalyst for the asymmetric borane reduction of electron-deficient ketones.
Computed Properties
Molecular Weight:156.38
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:156.0149373
Monoisotopic Mass:156.0149373
Topological Polar Surface Area:40.5
Heavy Atom Count:10
Complexity:102
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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