1,1-Dimethyl-2-oxo-2-(2-propen-1-yloxy)ethyl 2-chloro-5-isocyanatobenzoate
Grundinformationen
- CAS
204918-22-9- Standard-SMILES
C=CCOC(=O)C(C)(C)OC(=O)c1cc(N=C=O)ccc1Cl- InChIKey
PKFZJUHXBJIMRW-UHFFFAOYSA-N- Summenformel
- C15H14ClNO5
- Durchschnittliche Molmasse
- 323,73 g/mol
- Monoisotopische Masse
- 323,0560502
Namen und Bezeichner
- Bevorzugter Name
- 1,1-Dimethyl-2-oxo-2-(2-propen-1-yloxy)ethyl 2-chloro-5-isocyanatobenzoate
- IUPAC
- (2-methyl-1-oxo-1-prop-2-enoxypropan-2-yl) 2-chloro-5-isocyanatobenzoate
Namen und Synonyme
204918-22-9RefChem:2137521,1-Dimethyl-2-oxo-2-(2-propen-1-yloxy)ethyl 2-chloro-5-isocyanatobenzoateSCHEMBL7951015PKFZJUHXBJIMRW-UHFFFAOYSA-NDTXSID7010315045-isocyanato-2-chloro-benzoic acid 1-allyloxycarbonyl-1-methyl-ethyl-esterNS00004510Benzoic acid, 2-achloro-a5-aisocyanato-a, 1,a1-adimethyl-a2-aoxo-a2-a(2-apropen-a1-ayloxy)aethyl ester
Datenbank-Bezeichner
- CAS
204918-22-9- PubChem CID
- 10936216
- DTXSID
DTXSID701031504- EC Number
- 695-953-8
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,4
- Polarare Oberfläche (TPSA)
- 82 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 484
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302+H332 (96.6%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]；H302 (96.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 29 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.
Gefahrenhinweise
Regulatory InformationStatus: No longer Valid Update: 29-08-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/8166
Hazard Classes and CategoriesAcute Tox. 4 (96.6%)；Skin Sens. 1A (100%)；Acute Tox. 4 (100%)；Aquatic Chronic 2 (100%)
Regulatorische Informationen
Regulatory InformationStatus: No longer Valid Update: 29-08-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/8166
Zugehörige Reaktionen
2
Notizen zur Verbindung
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