5-Acetyl-2-fluorophenylboronic Acid - CAS 870777-29-0

Catalog:	BB038241
Product Name:	5-Acetyl-2-fluorophenylboronic Acid
CAS:	870777-29-0
Synonyms:	(5-acetyl-2-fluorophenyl)boronic acid; (5-acetyl-2-fluorophenyl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(5-acetyl-2-fluorophenyl)boronic acid
Description:	5-Acetyl-2-fluorophenylboronic Acid (CAS# 870777-29-0) is a useful research chemical.
Molecular Weight:	181.96
Molecular Formula:	C8H8FO3B
Canonical SMILES:	B(C1=C(C=CC(=C1)C(=O)C)F)(O)O
InChI:	InChI=1S/C8H8BFO3/c1-5(11)6-2-3-8(10)7(4-6)9(12)13/h2-4,12-13H,1H3
InChI Key:	FQVNUEBNRAIKBR-UHFFFAOYSA-N
Boiling Point:	376.1 °C at760 mmHg
Melting Point:	112-117 °C (lit.)
Density:	1.28 g/cm³
MDL:	MFCD06656263
LogP:	-0.29190

Publication Number	Title	Priority Date
CN-109206614-B	Reagent for detecting sugar chain-containing biomolecule and preparation method and application thereof	20170705
EP-2718264-A1	Benzocycloheptene acetic acids	20110606
EP-2718264-B1	Benzocycloheptene acetic acids	20110606
KR-20140041589-A	Benzocycloheptene acetic acid	20110606
MX-2013013849-A	ACIDS BENZOCICLOHEPTENO ACETICOS.	20110606

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Related Functional Groups

Boronic Acids and Esters

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[1256355-43-7]
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[1219956-23-6]
2,4-Diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
[380430-53-5]
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2-Methoxy-4-(trifluoromethoxy)phenylboronic Acid

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

Complexity:	198
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.0550524
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	182.0550524
Rotatable Bond Count:	2
Topological Polar Surface Area:	57.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0