5-Methoxy-1,3-dihydro-2-benzofuran-1,3-dione

5-Methoxy-isobenzofuran-1 · 5-Methoxy-2-benzofuran-1,3-dione · 5-Methoxy-1,3-isobenzofurandione · 5-Methoxy-isobenzofuran-1,3-dione · 1,3-Isobenzofurandione, 5-methoxy- · METHYL N-(DIPHENYLMETHYLENE)-L-SERINATE · 5-Methoxy-1,3-dihydro-2-benzofuran-1,3-dione

https://huagongshe.com/de/chemical/639748

Molekülstruktur von 5-Methoxy-1,3-dihydro-2-benzofuran-1,3-dione

Identifikatoren & physikalische Daten

CAS No.	28281-76-7
Summenformel	C9H6O4
Durchschnittliche Molmasse	178,14 g/mol
Monoisotopische Masse	178,02660867 g/mol
SMILES	COc1ccc2c(c1)C(=O)OC2=O
InChIKey	INEIVXABODMRMQ-UHFFFAOYSA-N
PubChem CID	639748
EC No.	861-499-6
DTXSID	DTXSID30348669

Chemische & physikalische Eigenschaften

XLogP	1,3
Polarare Oberfläche (TPSA)	52,6
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	1
Schwere Atome	13
Formalladung	0
Komplexität	248
Schmelzpunkt	98-99 °C(Solv: acetic acid (64-19-7))
Siedepunkt	348.6±25.0 °C(Predicted)
Dichte	1.407±0.06 g/cm3(Predicted)
Lagerbedingungen	under inert gas (nitrogen or Argon) at 2-8°C

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P233, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P342+P316, P362+P364, P403, 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.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Zollcode	2932990090

Anwendungen & Verwendung

Verwenden

5-Methoxyisobenzofuran-1,3-dione is used as a reagent in the synthesis of basic ethers of 1,2-dihydropyrrolo[1,2-α]indole, 6H-isoindolo[2,1-α]indole, and 6H-benz[5,6]isoindolo[2,1-α]indole which display antiproliferative activity.