2-Chloro-5-(trifluoromethyl)phenylboronic Acid - CAS 182344-18-9

Name: 2-Chloro-5-(trifluoromethyl)phenylboronic Acid
Brand: BOC Sciences
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Catalog:	BB013933
Product Name:	2-Chloro-5-(trifluoromethyl)phenylboronic Acid
CAS:	182344-18-9
Synonyms:	[2-chloro-5-(trifluoromethyl)phenyl]boronic acid; [2-chloro-5-(trifluoromethyl)phenyl]boronic acid

Technical Data

IUPAC Name:	[2-chloro-5-(trifluoromethyl)phenyl]boronic acid
Description:	Reactant for: Synthesis of aryl- and hetarylfurocoumarins via Suzuki reaction; Synthesis of Et canthinone-3-carboxylates from Et 4-bromo-6-methoxy-1,5-naphthyridine-3-carboxylate via a Pd-catalyzed Suzuki-Miyaura coupling and a Cu-catalyzed amidation reaction; Preparation of xanthines via one-pot coupling with diaminouracil; Pd-catalyzed Suzuki-Miyaura coupling with 8-bromo-1,5-naphthyridin-2-one. May contain varying amounts of anhydride.
Molecular Weight:	224.37
Molecular Formula:	C7H5ClF3O2B
Canonical SMILES:	B(C1=C(C=CC(=C1)C(F)(F)F)Cl)(O)O
InChI:	InChI=1S/C7H5BClF3O2/c9-6-2-1-4(7(10,11)12)3-5(6)8(13)14/h1-3,13-14H
InChI Key:	YVMXEHZEYONARR-UHFFFAOYSA-N
Boiling Point:	303.2 °C at 760 mmHg
Density:	1.49 g/cm³
MDL:	MFCD00797335
LogP:	1.03860

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

Publication Number	Title	Priority Date
WO-2021161084-A1	N-(4-fluorophenyl)-5-phenyl-[1,2,4] triazolo [1,5-a] pyridine-2-carboxamide derivatives and their synthesis thereof	20200216
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Complexity:	200
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.0023217
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	224.0023217
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0