4-Methyl-1,3-isobenzofurandione

https://huagongshe.com/de/chemical/98500

Identifikatoren & physikalische Daten

CAS No.	30140-42-2
Summenformel	C9H6O3
Durchschnittliche Molmasse	162,14 g/mol
Monoisotopische Masse	162,03169405 g/mol
SMILES	Cc1cccc2c1C(=O)OC2=O
InChIKey	TWWAWPHAOPTQEU-UHFFFAOYSA-N
PubChem CID	98500
ChEMBL	CHEMBL1814074
EC No.	225-344-0
DTXSID	DTXSID0063606

Chemische & physikalische Eigenschaften

XLogP	1,7
Polarare Oberfläche (TPSA)	43,4
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	0
Schwere Atome	12
Formalladung	0
Komplexität	234
SpringerMaterials Properties	Chemical shift

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (14.3%)

GHS-Einstufung

DangerH302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Acute Tox. 4 (14.3%)