2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid

HCID 2795469

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 42327-95-7
Standard-SMILES: CC1(C)Cc2cccc(C(=O)O)c2O1
InChIKey: AVVACPBRCFXZMR-UHFFFAOYSA-N
Summenformel: C11H12O3
Durchschnittliche Molmasse: 192,21 g/mol
Monoisotopische Masse: 192,07864424

Namen und Bezeichner

Bevorzugter Name: 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid
IUPAC: 2,2-dimethyl-3H-1-benzofuran-7-carboxylic acid
Englischer Name: 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid
Summenformel: C11H12O3
Molmasse: 192.21

Namen und Synonyme

42327-95-72,2-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylic acidDTXSID30383691RefChem:441269DTXCID40334715867-686-92,2-dimethyl-2,3-dihydrobenzofuran-7-carboxylic acid2,2-dimethyl-3H-1-benzofuran-7-carboxylic acidMFCD034268262,2-dimethyl-2,3-dihydro-benzofuran-7-carboxylic acidSDCCGMLS-0066067.P0012,2-dimethyl-3H-benzofuran-7-carboxylic acid

Weitere Namen anzeigen

7-Benzofurancarboxylic acid, 2,3-dihydro-2,2-dimethyl-2,2-Dimethyl-2,3-dihydro-1-benzofurane-7-carboxylicacid

SCHEMBL783714orb3031207SCHEMBL6197478AVVACPBRCFXZMR-UHFFFAOYSA-NFr12742SBA32795SBB091416AKOS006283231

Datenbank-Bezeichner

CAS: 42327-95-7
PubChem CID: 2795469
DTXSID: DTXSID30383691
EC Number: 867-686-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 46,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 247

Physikochemische Eigenschaften

Schmelzpunkt: 137 °C · 137 °C

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)

Aggregated GHS information provided per 2 reports by companies from 1 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.