(3,5-Difluorophenyl)boronic acid

HCID 2734338CAS 156545-07-2

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Grundinformationen

Standard-SMILES: OB(O)c1cc(F)cc(F)c1
InChIKey: QWQBQRYFWNIDOC-UHFFFAOYSA-N
Summenformel: C6H5BF2O2
Durchschnittliche Molmasse: 157,91 g/mol
Monoisotopische Masse: 158,03506624

Namen und Bezeichner

Bevorzugter Name: (3,5-Difluorophenyl)boronic acid
IUPAC: (3,5-difluorophenyl)boronic acid
Englischer Name: 3,5-Difluorophenylboronic acid
Summenformel: C6H5BF2O2
Molmasse: 157.91

Namen und Synonyme

156545-07-2(3,5-difluorophenyl)boronic acid[3,5-difluorophenyl]boronic acidRefChem:399373605-060-73,5-Difluorophenylboronic acid3,5-Difluorobenzeneboronic Acid3,5-difluorophenyl boronic acidBORONIC ACID, B-(3,5-DIFLUOROPHENYL)-MFCD01318138SCHEMBL1248473,5-difluoro-phenylboronic acid

Weitere Namen anzeigen

AKOS BRN-0091RARECHEM AH PB 01673,5-Difluorophenylbo3,5-Difluorobenzeneboronicacid98%3,5-DIFLUOROPHENYLBORONIC ACID 98%3,5-Difluorophenylboronic acid,98%3,5-Difluorophenylboronic acid Cas3,5-Difluorobenzeneboronic acid 98%

3,5-difluorophenyl-boronic acidBDBM927173,5-difluorobenzene boronic acidDTXSID90370229GS-6738(3,5-Difluorophenyl)Boranediol3,5-Difluorophenylboronic acid (contains varying amounts of Anhydride)Boronic acid, (3,5-difluorophenyl)- (9CI)

Datenbank-Bezeichner

CAS: 156545-07-2
PubChem CID: 2734338
DTXSID: DTXSID90370229
UNII: JD5DY73A3Z
EC Number: 605-060-7
Nikkaji: J1.049.856B

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 124

Physikochemische Eigenschaften

Schmelzpunkt: 210 · 210-217 °C (lit.)
Siedepunkt: 266.9 · 266.9±50.0 °C(Predicted)
Dichte: 1.35 · 1.35±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 6.46 · 6.46±0.10(Predicted)
Aggregatzustand: powder
Farbe: White to Orange to Green
BRN: 6800882 · 6800882
InChI: InChI=1S/C6H5BF2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H
InChIKey: QWQBQRYFWNIDOC-UHFFFAOYSA-N
SMILES: B(C1=CC(F)=CC(F)=C1)(O)O
CAS Datenbank: 156545 · 156545-07-2(CAS DataBase Reference)

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 50 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29163990
risk_code: 36/37/38-20-19-11-22
hazard_code: Xi,Xn,F
safety_code: 26-36-33-16-37/39
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden3,5-Difluorophenylboronic Acid is used in the synthesis of N-thiazol-2-yl-benzamides as glucokinase (GK) activators for treatment of type 2 diabetes mellitus (T2DM).