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2-(3-(Difluoromethoxy)-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(3-(Difluoromethoxy)-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane - CAS 1641580-18-8

Catalog:	BB054561
Product Name:	2-(3-(Difluoromethoxy)-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS:	1641580-18-8
Synonyms:	2-(3-(difluoromethoxy)-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	3-Difluoromethoxy-4-fluorobenzeneboronic acid pinacol ester
Molecular Weight:	288.07
Molecular Formula:	C13H16BF3O3
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)F)OC(F)F
InChI:	InChI=1S/C13H16BF3O3/c1-12(2)13(3,4)20-14(19-12)8-5-6-9(15)10(7-8)18-11(16)17/h5-7,11H,1-4H3
InChI Key:	WRIFJXGMZKAANY-UHFFFAOYSA-N
Purity:	95%
Storage:	Store at 2-8°C

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> 20,000 building blocks and intermediates from stock

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Related Functional Groups

Boronic Acids and Esters

[1022092-33-6]
1-(2-Cyanoethyl)-1H-pyrazole-4-boronic Acid Pinacol Ester
[1256355-43-7]
2-(Methoxycarbonyl)-4-methylphenylboronic Acid
[766549-26-2]
2-Chloro-4-hydroxyphenylboronic Acid
[871126-22-6]
2-Fluoro-4-formylphenylboronic acid
[881302-73-4]
3,5-Dicarboxyphenylboronic Acid
[10365-98-7]
3-Methoxybenzeneboronic Acid

Fluorinated Building Blocks

[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[151585-93-2]
2-Amino-6-fluorobenzaldehyde
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile

Oxygen Compounds

[544-62-7]
Batyl alcohol
[77987-49-6]
Z-Glycinol
[1263034-11-2]
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[5416-55-7]
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	336
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	288.114459
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	288.114459
Rotatable Bond Count:	3
Topological Polar Surface Area:	27.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0