2,3-Dimethylphenylboronic acid - CAS 183158-34-1

Catalog:	BB050276
Product Name:	2,3-Dimethylphenylboronic acid
CAS:	183158-34-1
Synonyms:	2,3-Dimethylbenzeneboronic Acid

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	(2,3-dimethylphenyl)boronic acid
Description:	2,3-Dimethylphenylboronic acid (CAS# 183158-34-1 ) is a useful research chemical.
Molecular Weight:	149.98
Molecular Formula:	C8H11O2B
Canonical SMILES:	B(C1=C(C(=CC=C1)C)C)(O)O
InChI:	InChI=1S/C8H11BO2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5,10-11H,1-2H3
InChI Key:	ZYYANAWVBDFAHY-UHFFFAOYSA-N
Boiling Point:	312.6 °C at 760 mmHg
Melting Point:	174-180 °C
Purity:	98 %
Density:	1.07 g/cm³
Appearance:	Crystalline powder

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Related Functional Groups

Boronic Acids and Esters

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2-Ethoxycarbonylphenylboronic Acid
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2-Methoxy-4-(trifluoromethoxy)phenylboronic Acid
[1450835-21-8]
(6-Chlorobenzo[b]thiophen-2-yl)boronic acid
[1029439-85-7]
2,3-Difluoro-4-hydroxyphenylboronic Acid Pinacol Ester
[1171897-39-4]
5-(Boc-amino)pyridine-3-boronic Acid Pinacol Ester
[2246646-61-5]
2-(3-((4-Bromo-2-chlorophenoxy)methyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

GHS Hazard Statement:	H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (12.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (87.5%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (87.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (12.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	150.0852098
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	150.0852098
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0