Grundinformationen
- Standard-SMILES
C=Cn1ccnc1- InChIKey
OSSNTDFYBPYIEC-UHFFFAOYSA-N- Summenformel
- C5H6N2
- Durchschnittliche Molmasse
- 94,11 g/mol
- Monoisotopische Masse
- 94,05309819
Überblick
structure in first source
Namen und Bezeichner
- Bevorzugter Name
- 1-Vinylimidazole
- IUPAC
- 1-ethenylimidazole
- Lokaler Name
- 1-Vinylimidazol
- Englischer Name
- 1-Vinylimidazole
- Summenformel
- C5H6N2
- Molmasse
- 94.11
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1072-63-5、25232-42-2、29383-23-1- PubChem CID
- 66171
- DTXSID
DTXSID0061458- ChEMBL
CHEMBL3929571- UNII
- ODY9ION63A
- EC Number
- 214-012-0、608-353-8
- Nikkaji
- J26.587J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,5
- Polarare Oberfläche (TPSA)
- 17,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 70,5
Experimentelle und physikochemische Eigenschaften
Physical Description
Liquid
Yellow liquid with an odor like amines; [BASF MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 78 · 78-79°C
- Siedepunkt
- 192 · 192-194 °C (lit.) 78-79 °C/13 mmHg (lit.)
- Dichte
- 1.039 g/mL · 1.039 g/mL at 25 °C (lit.)
- Dampfdruck
- 38 Pa · 38Pa at 20℃
- Brechungsindex
- 20 · n20/D 1.533(lit.)
- Flammpunkt
- 178 °F · 178 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Löslichkeit
- Acetonitrile (Slightly), Chloroform (Slightly)
- Aggregatzustand
- Oil
- pka
- 6.07 · 6.07±0.10(Predicted)
- Farbe
- Colourless
- Geruch (Odor)
- Amines-like odor
- Wasserlöslichkeit
- Miscible with water.
- BRN
- 105321 · 105321
- Stabilität
- Stable. Hygroscopic. Incompatible with strong oxidizing agents.
- InChI
- 1S/C5H6N2/c1-2-7-4-3-6-5-7/h2-5H,1H2
- InChIKey
- OSSNTDFYBPYIEC-UHFFFAOYSA-N
- SMILES
- C=Cn1ccnc1
- LogP
- 0.54 at · 0.54 at 25℃
- CAS Datenbank
- 1072 · 1072-63-5(CAS DataBase Reference)
- NIST chemische Informationen
- N-vinylimidazole(1072-63-5)
- EPA chemische Informationen
- 1 H-Imidazole, · 1H-Imidazole, 1-ethenyl- (1072-63-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H360D: May damage the unborn child [Danger Reproductive toxicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Danger
H302 (99.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory Information
Chemical: 1H-Imidazole, 1-ethenyl-
Hazard Traits - Reproductive Toxicity
1H-Imidazole, 1-ethenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Imidazole, 1-ethenyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 17-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/12790
Substance: 1-vinylimidazole
1-Vinylimidazole: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Acute Tox. 4 (99.8%)
Reproductive toxicity - category 1B
Repr. 1B
Sicherheitsdaten
- F
- 10
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3267 8/PG 2
- hs_code
- 29339900
- risk_code
- 22-34-41
- hazard_code
- C,F
- hazard_note
- Flammable/Light Sensitive
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- III
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Repr. 1B
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1H-Imidazole, 1-ethenyl-: ACTIVE
Anwendungen
Verwenden1-Vinylimidazole is used as a monomer in the synthesis of molecularly imprinted polymers. It is involved in the removal of vinyl protecting groups with an isoprene-catalyzed lithiation process. Also, it is involved in the preparation of magnetic-poly(divinylbenzene-1-vinylimidazole) microbeads. Further, it is used to prepare ion imprinted polyvinylimidazole-silica hybrid copolymer.
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