5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-2-benzofuran-1-one

HCID 58074623

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Grundinformationen

CAS: 862081-37-6
Standard-SMILES: CC1(C)OB(c2ccc3c(c2)COC3=O)OC1(C)C
InChIKey: OPVQSJKJDSJOJD-UHFFFAOYSA-N
Summenformel: C14H17BO4
Durchschnittliche Molmasse: 260,1 g/mol
Monoisotopische Masse: 260,1219892

Namen und Bezeichner

Bevorzugter Name: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-2-benzofuran-1-one
IUPAC: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-2-benzofuran-1-one
Englischer Name: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isobenzofuran-1(3H)-one
Summenformel: C14H17BO4
Molmasse: 260.09

Namen und Synonyme

862081-37-65-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-2-benzofuran-1-oneRefChem:530053812-623-25-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isobenzofuran-1(3H)-one5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydro-2-benzofuran-1-oneMFCD18251723(1-Oxo-1,3-dihydroisobenzofuran-5-yl)boronic acid pinacol ester1-Oxo-1,3-dihydroisobenzofuran-5-boronic Acid Pinacol Ester5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-benzofuran-1(3H)-one5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-isobenzofuran-1-oneSCHEMBL508450

Weitere Namen anzeigen

Phthalide-5-boronic acid pinacol ester5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1(3H)-isobenzofuranone1(3H)-Isobenzofuranone, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Isobenzofuran-1(3H)-One(WX652032)

orb3022617SCHEMBL30938199TPL0442OPVQSJKJDSJOJD-UHFFFAOYSA-NAKOS015943016AS-2795CS-W0204965-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydro-2-benzofuran-1-one

Datenbank-Bezeichner

CAS: 862081-37-6
PubChem CID: 58074623
EC Number: 812-623-2
Nikkaji: J3.801.812D

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 44,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 19
Formalladung: 0
Komplexität: 377

Physikochemische Eigenschaften

storage temp.: Store at room temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

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]

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 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

hs_code: 2932990090

Chemie und Industrie

Anwendungen

Verwenden5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-2-benzofuran-1-one is used to design to find inhibitors of the lymphocyte pore-forming protein perforin.