3-(Bromomethyl)phenylboronic Acid

Product Information

Molecular Formula:
C7H8BrO2B
Molecular Weight:
214.85
Description
3-(Bromomethyl)phenylboronic Acid (CAS# 51323-43-4) is a useful research chemical.
Synonyms
[3-(bromomethyl)phenyl]boronic acid; [3-(bromomethyl)phenyl]boronic acid
IUPAC Name
[3-(bromomethyl)phenyl]boronic acid
Canonical SMILES
B(C1=CC(=CC=C1)CBr)(O)O
InChI
InChI=1S/C7H8BBrO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,10-11H,5H2
InChI Key
ATRFDLFMCLYROQ-UHFFFAOYSA-N
Boiling Point
359.1 °C at 760 mmHg
Melting Point
224-228 °C
Flash Point
Not applicable
Purity
90 %
Density
1.57 g/cm3
Appearance
White powder
Storage
2-8 °C
LogP
0.26130

Safety Information

Hazards
H315 - H319 - H335
Precautionary Statement
P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word
Danger

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
213.98007 g/mol
Monoisotopic Mass
213.98007 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
121
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

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JP-2021119368-A Photosensitive colored resin composition, cured product, color filter, display device 2020-01-30
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The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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