3-(Bromomethyl)phenylboronic Acid - CAS 51323-43-4

Catalog:	BB027408
Product Name:	3-(Bromomethyl)phenylboronic Acid
CAS:	51323-43-4
Synonyms:	[3-(bromomethyl)phenyl]boronic acid; [3-(bromomethyl)phenyl]boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	[3-(bromomethyl)phenyl]boronic acid
Description:	3-(Bromomethyl)phenylboronic Acid (CAS# 51323-43-4) is a useful research chemical.
Molecular Weight:	214.85
Molecular Formula:	C7H8BrO2B
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
MDL:	MFCD01632207
LogP:	0.26130

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Related Functional Groups

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GHS Hazard Statement:	H314 (15.56%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
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

Complexity:	121
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.98007
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	213.98007
Rotatable Bond Count:	2
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0