2-Ethylphenylboronic Acid - CAS 90002-36-1

Name: 2-Ethylphenylboronic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB039731
Product Name:	2-Ethylphenylboronic Acid
CAS:	90002-36-1
Synonyms:	(2-ethylphenyl)boronic acid; (2-ethylphenyl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(2-ethylphenyl)boronic acid
Description:	Reactant for: Palladium-catalyzed cross-coupling; Enantioselective Hayashi-Miyaura reaction; Pd-catalyzed Suzuki-Miyaura reaction.
Molecular Weight:	149.98
Molecular Formula:	C8H11O2B
Canonical SMILES:	B(C1=CC=CC=C1CC)(O)O
InChI:	InChI=1S/C8H11BO2/c1-2-7-5-3-4-6-8(7)9(10)11/h3-6,10-11H,2H2,1H3
InChI Key:	QSSPYZOSTJDTTL-UHFFFAOYSA-N
Boiling Point:	299.1 °C at 760 mmHg
Melting Point:	102.5-107.5 °C (lit.)
Density:	1.07 g/cm³
MDL:	MFCD02093075
LogP:	-0.07120

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Related Functional Groups

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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Complexity:	117
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:	2
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0