Ethyl-2-cyancinnamat

alpha-Cyanocinnamic acid ethyl ester

HCID 668187

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Grundinformationen

CAS: 2025-40-3
Standard-SMILES: CCOC(=O)/C(C#N)=C/c1ccccc1
InChIKey: KCDAMWRCUXGACP-DHZHZOJOSA-N
Summenformel: C12H11NO2
Durchschnittliche Molmasse: 201,22 g/mol
Monoisotopische Masse: 201,07897859

Namen und Bezeichner

Bevorzugter Name: alpha-Cyanocinnamic acid ethyl ester
IUPAC: ethyl (E)-2-cyano-3-phenylprop-2-enoate
Lokaler Name: Ethyl-2-cyancinnamat
Englischer Name: alpha-Cyanocinnamic acid ethyl ester
Summenformel: C12H11NO2
Molmasse: 201.22

Namen und Synonyme

2169-69-9Ethyl 2-Cyano-3-phenylacrylatealpha-Cyanocinnamic acid ethyl ester(E)-Ethyl 2-cyano-3-phenylacrylateethyl (E)-2-cyano-3-phenylprop-2-enoateethyl (2E)-2-cyano-3-phenylprop-2-enoateMFCD00009137(E)-2-Cyano-3-phenyl-acrylic acid ethyl esterEthyl (E)-2-cyano-3-phenylacrylateCinnamic acid, alpha-cyano-, ethyl ester2-Propenoic acid, 2-cyano-3-phenyl-, ethyl ester(E)-Ethyl 2-Cyano-3-phenyl-2-propenoate

Weitere Namen anzeigen

Ethyl 2-cyanocinnamateEthyl αAURORA KA-3351-CyanocinnamateRARECHEM AK ML 0016-Thioglucopyranoside-BromoethylglyoxalateEthyl α-CyanocinnaMateETHYL-A-CYANOCINNAMATEETHYL ALPHA-CYANOCINNAMATE

ethyl (E)-2-cyano-3-phenyl-prop-2-enoateEthyl alpha-cyano-beta-phenylcinnamateEthyl .alpha.-cyanocinnamateEthyl trans-alpha-cyanocinnamate2-Cyano-3-phenylacrylic Acid Ethyl EsterNSC 8904EINECS 217-972-9Ethyl |A-Cyanocinnamate

Datenbank-Bezeichner

CAS: 2025-40-3、2169-69-9
PubChem CID: 668187
ChEMBL: CHEMBL4091929
EC Number: 634-979-6
Nikkaji: J80.417G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 50,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 15
Formalladung: 0
Komplexität: 292

Physikochemische Eigenschaften

Schmelzpunkt: 51 · 51-53 °C(lit.)
Siedepunkt: 188 °C15 · 188 °C15 mm Hg(lit.)
Dichte: 1.1076 · 1.1076
Brechungsindex: 1.5033 · 1.5033 (estimate)
Flammpunkt: 230 °F · >230 °F
storage temp.: Store at room temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
Farbe: White to Light yellow
EPA chemische Informationen: 2 · 2-Propenoic acid, 2-cyano-3-phenyl-, ethyl ester (2025-40-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, 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 39 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.