Ethyl 2-(4-cyanophenyl)acetate
Grundinformationen
- CAS
1528-41-2- Standard-SMILES
CCOC(=O)Cc1ccc(C#N)cc1- InChIKey
DFEWKWBIPMKGFG-UHFFFAOYSA-N- Summenformel
- C11H11NO2
- Durchschnittliche Molmasse
- 189,21 g/mol
- Monoisotopische Masse
- 189,07897859
Namen und Bezeichner
- Bevorzugter Name
- Ethyl 2-(4-cyanophenyl)acetate
- IUPAC
- ethyl 2-(4-cyanophenyl)acetate
- Englischer Name
- ethyl 2-(4-cyanophenyl)acetate
- Summenformel
- C11H11NO2
- Molmasse
- 189.21
Namen und Synonyme
ethyl 2-(4-cyanophenyl)acetateDTXSID30299465RefChem:593863DTXCID20250601678-680-91528-41-2ETHYL 4-CYANOPHENYLACETATEMFCD09953133Ethyl (4-cyanophenyl)acetateEthyl-4-cyanophenylacetateethyl p-cyanophenylacetateethyl2-(4-cyanophenyl)acetate
Weitere Namen anzeigen
NSC 130982Ethyl 2-(4-cyanophenyl)2-chloro-5-methoxy-1H-indoleEthyl 4-cyanophenylacetate, 98%4-Cyanophenylacetic acid ethyl ester4-Cyanobenzeneacetic acid ethyl esterp-Cyanophenyl acetic acid ethyl ester
AKOS016001781CS-W004161SY043366ethyl 4-cyanobenzeneacetateP-Cyanophenylacetic acid ethyl esterNSC130982Ethyl (4Benzeneacetic acid, 4-cyano-, ethyl ester
Datenbank-Bezeichner
- CAS
1528-41-2- PubChem CID
- 279718
- DTXSID
DTXSID30299465- EC Number
- 678-680-9
- Nikkaji
- J1.884.454K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 50,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 233
Physikochemische Eigenschaften
- Schmelzpunkt
- 90 · 90-94°C
- Siedepunkt
- 305 ℃ · 305℃
- Dichte
- 1.11 · 1.11
- Flammpunkt
- 141 ℃ · 141℃
- storage temp.
- Sealed in dry,Room Temperature
- InChI
- InChI=1S/C11H11NO2/c1-2-14-11(13)7-9-3-5-10(8-12)6-4-9/h3-6H,2,7H2,1H3
- InChIKey
- DFEWKWBIPMKGFG-UHFFFAOYSA-N
- SMILES
- C1(CC(OCC)=O)=CC=C(C#N)C=C1
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- ridadr
- UN3439
- hazard_class
- 6.1
- packing_group
- III
Chemie und Industrie
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