2,5-Difluorophenylboronic Acid - CAS 193353-34-3

Catalog:	BB014947
Product Name:	2,5-Difluorophenylboronic Acid
CAS:	193353-34-3
Synonyms:	(2,5-difluorophenyl)boronic acid; (2,5-difluorophenyl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(2,5-difluorophenyl)boronic acid
Description:	Reactant for: Suzuki-Miyaura cross-coupling reactions; Preparation of selective sphingosine phosphate receptor antagonists.
Molecular Weight:	157.91
Molecular Formula:	C6H5F2O2B
Canonical SMILES:	B(C1=C(C=CC(=C1)F)F)(O)O
InChI:	InChI=1S/C6H5BF2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,10-11H
InChI Key:	KTOJGSDLJNUAEP-UHFFFAOYSA-N
Boiling Point:	271.3 °C at 760 mmHg
Melting Point:	105-110 °C (lit.)
Flash Point:	Not applicable
Purity:	≥ 95 %
Density:	1.35 g/cm³
MDL:	MFCD01863171
LogP:	-0.35540

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Related Functional Groups

Boronic Acids and Esters

[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
[881302-73-4]
3,5-Dicarboxyphenylboronic Acid
[470478-90-1]
4-(4-Boc-piperazino)phenylboronic Acid Pinacol Ester
[937796-06-0]
4-(3,5-Dimethyl-1-pyrazolyl)phenylboronic Acid Pinacol Ester
[364044-44-0]
4'-Chloro-4-biphenylboronic Acid

GHS Hazard Statement:	H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	134
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	158.0350659
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	158.0350659
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0