2,6-Dimethyl-4-methoxyphenylboronic acid - CAS 361543-99-9

Catalog:	BB050281
Product Name:	2,6-Dimethyl-4-methoxyphenylboronic acid
CAS:	361543-99-9
Synonyms:	4-Methoxy-2,6-dimethylphenylboronic acid

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	(4-methoxy-2,6-dimethylphenyl)boronic acid
Description:	2,6-Dimethyl-4-methoxyphenylboronic acid (CAS# 361543-99-9 ) is a useful research chemical.
Molecular Weight:	180.01
Molecular Formula:	C9H13BO3
Canonical SMILES:	B(C1=C(C=C(C=C1C)OC)C)(O)O
InChI:	InChI=1S/C9H13BO3/c1-6-4-8(13-3)5-7(2)9(6)10(11)12/h4-5,11-12H,1-3H3
InChI Key:	UOSSBXMFWPYHEF-UHFFFAOYSA-N
Boiling Point:	346.3 °C at 760 mmHg
Melting Point:	168-172 °C
Purity:	98 %
Density:	1.11 g/cm³
Storage:	Keep Cold

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.0957744
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	180.0957744
Rotatable Bond Count:	2
Topological Polar Surface Area:	49.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0