3-Benzyloxyphenylboronic acid
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3-Benzyloxyphenylboronic acid
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CAS No:
156682-54-1
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Formula:
C13H13BO3
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Chemical Name:
3-Benzyloxyphenylboronic acid
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Synonyms:
Boronic acid,B-[3-(phenylmethoxy)phenyl]-;Boronic acid,[3-(phenylmethoxy)phenyl]-;B-[3-(Phenylmethoxy)phenyl]boronic acid;3-Benzyloxybenzeneboronic acid;3-Benzyloxyphenylboronic acid;[3-[(Phenylmethyl)oxy]phenyl]boronic acid;(3-Phenylmethoxyphenyl)boronic acid
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CAS No:
Characteristics
49.7
White to beige Crystalline Powder or Crystals
1.20±0.1 g/cm3(Predicted)
125-130 °C(lit.)
428.2±47.0 °C(Predicted)
212.7±29.3 °C
1.594
0-6°C
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
37/39-26-36-26/37
Xi,C
Corrosive
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, P501
H302
|Warning|H302 (12.5%): 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 8 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:228.05
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:228.0957744
Monoisotopic Mass:228.0957744
Topological Polar Surface Area:49.7
Heavy Atom Count:17
Complexity:217
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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