4-Cyano-3,5-difluorophenylboronic acid - CAS 861710-03-4

Catalog:	BB054547
Product Name:	4-Cyano-3,5-difluorophenylboronic acid
CAS:	861710-03-4
Synonyms:	Boronic acid, B-(4-cyano-3,5-difluorophenyl)-

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	(4-cyano-3,5-difluorophenyl)boronic acid
Molecular Weight:	182.92
Molecular Formula:	C7H4BF2NO2
Canonical SMILES:	B(C1=CC(=C(C(=C1)F)C#N)F)(O)O
InChI:	InChI=1S/C7H4BF2NO2/c9-6-1-4(8(12)13)2-7(10)5(6)3-11/h1-2,12-13H
InChI Key:	YKYMGFVDWOIHJH-UHFFFAOYSA-N
Melting Point:	>300°C
Density:	1.44 g/cm3
Solubility:	Soluble in Acetone (Slightly), DMSO (Slightly)
Appearance:	White to Off-white Solid
Storage:	Store at -20°C

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Related Functional Groups

Boronic Acids and Esters

[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[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]
2-Ethoxycarbonylphenylboronic Acid
[355836-10-1]
2-Methoxy-4-(trifluoromethoxy)phenylboronic Acid
[881302-73-4]
3,5-Dicarboxyphenylboronic Acid
[364044-44-0]
4'-Chloro-4-biphenylboronic Acid

Fluorinated Building Blocks

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[452-76-6]
2,4-Difluorotoluene
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[1795420-51-7]
3-Amino-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid

Oxygen Compounds

[544-62-7]
Batyl alcohol
[134769-80-5]
3-Methylphenylacetaldehyde dimethyl acetal
[52378-69-5]
Diethyl trans-cinnamylphosphonate
[5896-75-3]
(Z)-N-(4-Phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501
Signal Word:	Warning

Complexity:	218
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.0303149
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	183.0303149
Rotatable Bond Count:	1
Topological Polar Surface Area:	64.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0