Grundinformationen
- Standard-SMILES
CCc1ccccn1- InChIKey
NRGGMCIBEHEAIL-UHFFFAOYSA-N- Summenformel
- C7H9N
- Durchschnittliche Molmasse
- 107,15 g/mol
- Monoisotopische Masse
- 107,07349929
Überblick
2-ethylpyridine has been reported in Camellia sinensis and Mentha arvensis with data available.
Namen und Bezeichner
- Bevorzugter Name
- 2-Ethylpyridine
- IUPAC
- 2-ethylpyridine
- Lokaler Name
- 2-Ethylpyridin
- Englischer Name
- 2-Ethylpyridine
- Summenformel
- C7H9N
- Molmasse
- 107.15
Namen und Synonyme
2-ETHYLPYRIDINE100-71-0Pyridine, 2-ethyl-alpha-Ethylpyridine06X1W46PYXNSC-964DTXSID4021844RefChem:87008DTXCID501844202-881-9Pyridine, ethyl-Ethylpyridine
Weitere Namen anzeigen
a-Ethylpyridine2-ethyl-pyridin2-ethvlpvridine2-Ethylpyridine>ALPHA-ETHYLPYRIDINE-Ethylpyridine, 98%2-Ethylpyridine,~99%2-ETHYLPYRIDINE 98+%
.alpha.-Ethylpyridine2-Ethyl-pyridineMFCD000063612-ethylpyridinDimetindene EP Impurity A28631-77-8NSC 964EINECS 202-881-9
Datenbank-Bezeichner
- CAS
100-71-0、28631-77-8- PubChem CID
- 7523
- DTXSID
DTXSID4021844- ChEMBL
CHEMBL279305- UNII
- 06X1W46PYX
- EC Number
- 202-881-9
- Nikkaji
- J4.013D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 12,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 61,4
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Pyridines
SpringerMaterials PropertiesBoiling point
LogP1.6
Flavoring AgentsEU Flavoring substances
Vapor Pressure4.89 [mmHg]
Physical DescriptionColorless liquid with an unpleasant odor; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- -63 °C · -63°C
- Siedepunkt
- 149 °C · 149 °C (lit.)
- Dichte
- 0.937 g/mL · 0.937 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.496(lit.)
- Flammpunkt
- 85 °F · 85 °F
- storage temp.
- Flammables area
- Löslichkeit
- 42 g/l · 42g/l
- Aggregatzustand
- clear liquid
- pka
- 5.89 · 5.89(at 25℃)
- Farbe
- Colorless to Almost colorless
- Geruch (Odor)
- 0.01 % · at 0.01 % in propylene glycol. green grassy
- Geruchsart
- green
- Wasserlöslichkeit
- 45 g/L · ca 45 g/L (20 ºC)
- BRN
- 106480 · 106480
- Henry's Law Constant
- 6 · 6.0×10-1 mol/(m3Pa) at 25℃, Andon et al. (1954)
- Dielectric constant
- 8.33 · 8.3300000000000001
- InChI
- 1S/C7H9N/c1-2-7-5-3-4-6-8-7/h3-6H,2H2,1H3
- InChIKey
- NRGGMCIBEHEAIL-UHFFFAOYSA-N
- SMILES
- CCc1ccccn1
- LogP
- 1.69 · 1.690
- CAS Datenbank
- 100 · 100-71-0(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Pyridine, 2-ethyl-(100-71-0)
- EPA chemische Informationen
- 2 · 2-Ethylpyridine (100-71-0)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H226 (99.5%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, 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 204 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Pyridine, 2-ethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Cease Manufacture Update: 14-03-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19221
2-Ethylpyridine: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; Harmful by ingestion, inhalation, and skin absorption; [Alfa Aesar MSDS] See Pyridine.
Hazard Classes and CategoriesFlam. Liq. 3 (99.5%)
Sicherheitsdaten
- F
- 8
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29333999
- risk_code
- 10-36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationPyridine, 2-ethyl-: ACTIVE
Anwendungen
Verwenden2-Ethylpyridine is used to study its effect on the proliferation and survival of human umbilical vein endothelial cells (HUVECs), HMVECs from lung, and NIH 3T3 cells. 2-Ethylpyridine linked with silica is a popular stationary phase for chiral and achiral separations in supercritical fluid chromatography.
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