2-Methoxy-4-(trifluoromethoxy)phenylboronic Acid - CAS 355836-10-1

Catalog:	BB022684
Product Name:	2-Methoxy-4-(trifluoromethoxy)phenylboronic Acid
CAS:	355836-10-1
Synonyms:	[2-methoxy-4-(trifluoromethoxy)phenyl]boronic acid; [2-methoxy-4-(trifluoromethoxy)phenyl]boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	[2-methoxy-4-(trifluoromethoxy)phenyl]boronic acid
Description:	2-Methoxy-4-(trifluoromethoxy)phenylboronic Acid (CAS# 355836-10-1) is a useful research chemical.
Molecular Weight:	235.95
Molecular Formula:	C8H8F3O4B
Canonical SMILES:	B(C1=C(C=C(C=C1)OC(F)(F)F)OC)(O)O
InChI:	InChI=1S/C8H8BF3O4/c1-15-7-4-5(16-8(10,11)12)2-3-6(7)9(13)14/h2-4,13-14H,1H3
InChI Key:	AJCQJELUJDPGEY-UHFFFAOYSA-N
Boiling Point:	312.9 °C at 760 mmHg
Density:	1.4 g/cm³
MDL:	MFCD04037221
LogP:	0.27360

Publication Number	Title	Priority Date
WO-2020060299-A1	Compound containing oxadiazole, and pharmaceutical composition containing same	20180921
TW-202023547-A	Compound having oxadiazole and pharmaceutical composition containing the same	20180921
US-2021115001-A1	Compound Having Oxadiazole And Pharmaceutical Composition Containing The Same	20180921
CN-113272285-A	Oxadiazole-containing compound and pharmaceutical composition containing the same	20180921
EP-3854788-A1	Compound containing oxadiazole, and pharmaceutical composition containing same	20180921

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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
[380430-53-5]
2-Ethoxycarbonylphenylboronic Acid
[163105-90-6]
2-Methoxy-3-pyridylboronic Acid
[937796-06-0]
4-(3,5-Dimethyl-1-pyrazolyl)phenylboronic Acid Pinacol Ester

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:	224
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	236.0467734
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	236.0467734
Rotatable Bond Count:	3
Topological Polar Surface Area:	58.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0