CAS 868662-36-6 2-(Trifluoromethyl)pyridine-5-boronic Acid (HCID 25134278)

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Grundinformationen

CAS: 868662-36-6
Standard-SMILES: OB(O)c1ccc(C(F)(F)F)nc1
InChIKey: BNTIPMNMTIAWIW-UHFFFAOYSA-N
Summenformel: C6H5BF3NO2
Durchschnittliche Molmasse: 190,92 g/mol
Monoisotopische Masse: 191,03654346

Namen und Bezeichner

Bevorzugter Name: 2-(Trifluoromethyl)pyridine-5-boronic Acid
IUPAC: [6-(trifluoromethyl)-3-pyridinyl]boronic acid
Englischer Name: 2-Trifluoromethyl-5-pyridineboric acid
Summenformel: C6H5BF3NO2
Molmasse: 190.92

Namen und Synonyme

2-(Trifluoromethyl)pyridine-5-boronic acidRefChem:462599808-212-2868662-36-6(6-(Trifluoromethyl)pyridin-3-yl)boronic acid[6-(trifluoromethyl)pyridin-3-yl]boronic acid2-(Trifluoromethyl)pyridin-5-ylboronic acid2-trifluoromethyl-5-pyridineboric acid2-TRIFLUOROMETHYL-5-PYRIDINEBORONIC ACID2-Trifluoromethylpyridine-5-boronic acidMFCD073753816-(Trifluoromethyl)pyridine-3-boronic acid

Weitere Namen anzeigen

6-(trifluoroMethyl)pyridin-3-ylboronic acid hydrochloride3-TRIFLUOROMETHYL-4-PYRAZOLYLBORIC ACID6-Trifluoromethylpyridine-3-boronic acid2-Trifluoromethyl-pyridine-5-boronic acid6-(Trifluoromethyl)pyridine-3-boronic acid 98%6-(trifluoroMethyl)pyridin-3-yl-3-boronic acidB-[6-(Trifluoromethyl)-3-pyridinyl]boronic acid

6-(trifluoromethyl)pyridin-3-ylboronic acid[6-(trifluoromethyl)-3-pyridinyl]boronic acid6-(Trifluoromethyl)-3-pyridylboronic Acid[6-(trifluoromethyl)-3-pyridyl]boronic acid[6-(trifluoromethyl)-3-pyridyl)boronic acidSCHEMBL2490392-Trifluoromethylpyridine-5-borSCHEMBL29453607

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 53,4 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 176

Physikochemische Eigenschaften

Siedepunkt: 274.9 · 274.9±50.0 °C(Predicted)
Dichte: 1.44 · 1.44±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 6.12 · 6.12±0.10(Predicted)
Aggregatzustand: Solid
Farbe: White to Orange to Green
Wasserlöslichkeit: Slightly soluble in water.
CAS Datenbank: 868662 · 868662-36-6

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 20 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

hs_code: 2933399990
hazard_code: Xi

Chemie und Industrie

Anwendungen

Verwenden(6-Trifluoromethyl-3-pyridyl)boronic Acid is used for preparation of [[(aryl)heteroaryl]methoxy]nitroimidazooxazines and study of their antituberculosis structure-activity relationship.