5-(Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide

HCID 57589940

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Grundinformationen

CAS: 957344-92-2
Standard-SMILES: CC1(C)OB(c2ccc(C(N)=O)s2)OC1(C)C
InChIKey: SQHNPVGOAXWLAM-UHFFFAOYSA-N
Summenformel: C11H16BNO3S
Durchschnittliche Molmasse: 253,13 g/mol
Monoisotopische Masse: 253,0943947

Namen und Bezeichner

Bevorzugter Name: 5-(Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide
IUPAC: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide
Englischer Name: 5-CarbaMoylthiophene-2-boronic acid pinacol ester, 96%
Summenformel: C11H16BNO3S
Molmasse: 253.13

Namen und Synonyme

957344-92-25-(tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamideRefChem:531688849-646-25-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide5-Carbamoylthiophene-2-boronic acid pinacol esterMFCD172152145-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-thiophene-2-carboxylic acid amideSCHEMBL1475922SQHNPVGOAXWLAM-UHFFFAOYSA-NHS-4279NCGC00662929-01

Weitere Namen anzeigen

2-Thiophenecarboxamide, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

SY205016DB-196007CS-0289458EN300-255098G71845F7028555-CarbaMoylthiophene-2-boronic acid pinacol ester, 96%5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-thiophene-2-carboxamide

Datenbank-Bezeichner

CAS: 957344-92-2
PubChem CID: 57589940
EC Number: 849-646-2

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 89,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 17
Formalladung: 0
Komplexität: 319

Physikochemische Eigenschaften

Siedepunkt: 391.8 · 391.8±27.0 °C(Predicted)
Dichte: 1.19 · 1.19±0.1 g/cm3(Predicted)
pka: 15.7 · 15.70±0.50(Predicted)
CAS Datenbank: 957344 · 957344-92-2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

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, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.