3-(Ethylsulfonyl)phenylboronic Acid - CAS 845870-47-5

Name: 3-(Ethylsulfonyl)phenylboronic Acid
Brand: BOC Sciences
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Catalog:	BB037254
Product Name:	3-(Ethylsulfonyl)phenylboronic Acid
CAS:	845870-47-5
Synonyms:	(3-ethylsulfonylphenyl)boronic acid; (3-ethylsulfonylphenyl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(3-ethylsulfonylphenyl)boronic acid
Description:	3-(Ethylsulfonyl)phenylboronic Acid (CAS# 845870-47-5) is a useful research chemical.
Molecular Weight:	214.05
Molecular Formula:	C8H11O4SB
Canonical SMILES:	B(C1=CC(=CC=C1)S(=O)(=O)CC)(O)O
InChI:	InChI=1S/C8H11BO4S/c1-2-14(12,13)8-5-3-4-7(6-8)9(10)11/h3-6,10-11H,2H2,1H3
InChI Key:	YGPHBSVMNUNGBH-UHFFFAOYSA-N
Boiling Point:	476.5 °C at 760 mmHg
Density:	1.34 g/cm³
MDL:	MFCD03095257
LogP:	0.24080

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Related Functional Groups

Boronic Acids and Esters

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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

Publication Number	Title	Priority Date
WO-2020242245-A1	Phthalazinone compounds and use thereof	20190529
WO-2020215094-A1	Substituted 2-amino-pyrazolyl-[1,2,4]triazolo[1,5a] pyridine derivatives and use thereof	20190418
CN-108774122-B	Method for synthesizing diaryl ketone compound by carbonylation taking chloroform as carbonyl source without participation of transition metal	20180810
DE-102017005091-A1	Substituted 3,4-dihydropyrido [2,3-b] pyrazine-2 (1H) -one	20160530
KR-101505783-B1	Novel pyrrolopyridinyloxyphenylamide derivatives and use thereof	20140801

Complexity:	270
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.0471102
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	214.0471102
Rotatable Bond Count:	3
Topological Polar Surface Area:	83 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0