4-Carboxy-3-fluorophenylboronic Acid - CAS 120153-08-4

Catalog:	BB004729
Product Name:	4-Carboxy-3-fluorophenylboronic Acid
CAS:	120153-08-4
Synonyms:	4-borono-2-fluorobenzoic acid; 4-borono-2-fluorobenzoic acid

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	4-borono-2-fluorobenzoic acid
Description:	4-Carboxy-3-fluorophenylboronic Acid acts as a reagent in the discovery of novel azaindole-based series as potent AXL kinase inhibitors.
Molecular Weight:	183.93
Molecular Formula:	C7H6FO4B
Canonical SMILES:	B(C1=CC(=C(C=C1)C(=O)O)F)(O)O
InChI:	InChI=1S/C7H6BFO4/c9-6-3-4(8(12)13)1-2-5(6)7(10)11/h1-3,12-13H,(H,10,11)
InChI Key:	CZDWJVSOQOMYGC-UHFFFAOYSA-N
Boiling Point:	399.5 °C at 760 mmHg
Density:	1.49 g/cm³
Storage:	Inert atmosphere, Room Temperature
MDL:	MFCD01114671
LogP:	-0.79630

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PMID	Publication Date	Title	Journal
15459093	20041201	Photonic crystal glucose-sensing material for noninvasive monitoring of glucose in tear fluid	Clinical chemistry

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Related Functional Groups

Boronic Acids and Esters

[1256355-43-7]
2-(Methoxycarbonyl)-4-methylphenylboronic Acid
[1219956-23-6]
2,4-Diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
[766549-26-2]
2-Chloro-4-hydroxyphenylboronic Acid
[871126-22-6]
2-Fluoro-4-formylphenylboronic acid
[163105-90-6]
2-Methoxy-3-pyridylboronic Acid
[355836-10-1]
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:	199
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.0343170
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	184.0343170
Rotatable Bond Count:	2
Topological Polar Surface Area:	77.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0