Grundinformationen
- CAS
13361-32-5- Standard-SMILES
C=CCOC(=O)CC#N- InChIKey
WXKCRCGKCOKJEF-UHFFFAOYSA-N- Summenformel
- C6H7NO2
- Durchschnittliche Molmasse
- 125,13 g/mol
- Monoisotopische Masse
- 125,04767847
Namen und Bezeichner
- Bevorzugter Name
- Allyl cyanoacetate
- IUPAC
- prop-2-enyl 2-cyanoacetate
- Lokaler Name
- Allylcyanacetat
- Englischer Name
- Allyl cyanoacetate
- Summenformel
- C6H7NO2
- Molmasse
- 125.13
Namen und Synonyme
Allyl cyanoacetate13361-32-5Cyanoacetic Acid Allyl EsterAcetic acid, cyano-, 2-propenyl esterCyanoacetic acid, allyl esterprop-2-en-1-yl 2-cyanoacetateEINECS 236-423-4BRN 19058186A64N945D8ACETIC ACID, CYANO-, ALLYL ESTERDTXSID1065425Acetic acid, 2-cyano-, 2-propen-1-yl ester
Weitere Namen anzeigen
Allyl Cyanoacetate >Allyl cyanoacetate 98%Prop-2-enylcyanoacetatecyano-aceticaciallylestercyano-aceticaci2-propenylesterALLYL CYANOACETATE FOR SYNTHESIS
EC 236-423-4RefChem:554856DTXCID8034160236-423-4allyl 2-cyanoacetateALLYLCYANOACETATEprop-2-enyl 2-cyanoacetateMFCD00013817
Datenbank-Bezeichner
- CAS
13361-32-5- PubChem CID
- 25919
- DTXSID
DTXSID1065425- UNII
- 6A64N945D8
- EC Number
- 236-423-4
- Nikkaji
- J24.726J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,6
- Polarare Oberfläche (TPSA)
- 50,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 154
Physikochemische Eigenschaften
- Schmelzpunkt
- -40 °C · -40.0°C
- Siedepunkt
- 110 °C20 · 110 °C20 mm Hg(lit.)
- Dichte
- 1.065 g/mL · 1.065 g/mL at 25 °C(lit.)
- Dampfdruck
- 0.05 hPa · 0.05 hPa
- Brechungsindex
- 20 · n20/D 1.443(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 30 °C · Store below +30°C.
- pka
- 3.79 · 3.79±0.10(Predicted)
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Light orange to Yellow
- Wichte
- 1.065 · 1.065
- InChI
- 1S/C6H7NO2/c1-2-5-9-6(8)3-4-7/h2H,1,3,5H2
- InChIKey
- WXKCRCGKCOKJEF-UHFFFAOYSA-N
- SMILES
- C=CCOC(=O)CC#N
- CAS Datenbank
- 13361 · 13361-32-5(CAS DataBase Reference)
- EPA chemische Informationen
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H312 (71.4%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (73.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (73.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (71.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (71.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 56 reports by companies from 6 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 Information
Status: Active Update: 10-06-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/11255
Allyl cyanoacetate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (100%)；Acute Tox. 4 (71.4%)；Skin Irrit. 2 (73.2%)；Eye Irrit. 2A (73.2%)；Acute Tox. 4 (71.4%)；STOT SE 3 (71.4%)
Regulatorische Informationen
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationAcetic acid, 2-cyano-, 2-propen-1-yl ester: ACTIVE
Anwendungen
VerwendenAllyl cyanoacetate is an intermediate for special adhesives. Product Data Sheet
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Anbieter80 Anbieter
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
南京迪恩赛尔生物科技有限公司19951952469 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
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