Methyl cyclobut-1-ene-1-carboxylate

HCID 11389373

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Grundinformationen

CAS: 40628-41-9
Standard-SMILES: COC(=O)C1=CCC1
InChIKey: JMIOIWRHSVRPJX-UHFFFAOYSA-N
Summenformel: C6H8O2
Durchschnittliche Molmasse: 112,13 g/mol
Monoisotopische Masse: 112,05242949

Namen und Bezeichner

Bevorzugter Name: Methyl cyclobut-1-ene-1-carboxylate
IUPAC: methyl cyclobutene-1-carboxylate
Englischer Name: Cyclobutene-1-carboxylic acid methyl ester
Summenformel: C6H8O2
Molmasse: 112.13

Namen und Synonyme

methyl cyclobut-1-ene-1-carboxylateRefChem:817687853-696-040628-41-91-Cyclobutene-1-carboxylic acid methyl esterMethyl Cyclobutene-1-carboxylatecyclobutene-1-carboxylic acid methyl esterSCHEMBL43992SCHEMBL6960478SCHEMBL7223778methyl 1-cyclobutene carboxylateSCHEMBL27990184

Weitere Namen anzeigen

Methylcyclobutene-1-carboxylatemethyl cyclobut-1-enecarboxylate

methyl cyclobutene-1-car-boxylateJMIOIWRHSVRPJX-UHFFFAOYSA-NDTXSID401346615methyl 1-cyclobutene-1-carboxylateAKOS0267139681-Cyclobutene-1-carboxylicacidmethylesterDB-354436EN300-180070

Datenbank-Bezeichner

CAS: 40628-41-9
PubChem CID: 11389373
DTXSID: DTXSID401346615
EC Number: 853-696-0
Nikkaji: J89.369B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 8
Formalladung: 0
Komplexität: 135

Physikochemische Eigenschaften

Siedepunkt: 42 · 42-43 °C(Press: 25 Torr)
Dichte: 1.122 · 1.122±0.06 g/cm3(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；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]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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.