1-Vinyl-1,2,4-triazole

HCID 565261CAS 2764-83-2

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Grundinformationen

Standard-SMILES: C=Cn1cncn1
InChIKey: ITUNZCVRYICLQM-UHFFFAOYSA-N
Summenformel: C4H5N3
Durchschnittliche Molmasse: 95,1 g/mol
Monoisotopische Masse: 95,04834716

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 1-Vinyl-1,2,4-triazole
IUPAC: 1-ethenyl-1,2,4-triazole
Englischer Name: 1-Vinyl-1,2,4-triazole
Summenformel: C4H5N3
Molmasse: 95.1

Namen und Synonyme

1-Vinyl-1,2,4-triazoleDTXSID60340499VTri cpdRefChem:77325DTXCID302915802764-83-21-Vinyl-1H-1,2,4-triazole1-ethenyl-1,2,4-triazole1-ethenyl-1H-1,2,4-triazoleMFCD006745531H-1,2,4-Triazole,1-ethenyl-SCHEMBL155596

Weitere Namen anzeigen

1-vinyl-1,2,4-triaZole,98%(stabilized with TBC)TIMTEC-BB SBB0000311-Vinyl-1H-1,2,4-triazole #1H-1,2,4-Triazole, 1-vinyl-CAA76483SBB000031AKOS0158982311-Vinyl-1,2,4-triazole >=97.0%

Datenbank-Bezeichner

CAS: 2764-83-2
PubChem CID: 565261
DTXSID: DTXSID60340499
EC Number: 626-977-9
Nikkaji: J661.480I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 30,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 7
Formalladung: 0
Komplexität: 71,3

Physikochemische Eigenschaften

Siedepunkt: 103 · 103-104 °C(Press: 15 Torr)
Dichte: 1.099 g/mL · 1.099 g/mL at 20 °C (lit.)
Brechungsindex: 20 · n20/D 1.511
storage temp.: 2 · 2-8°C, stored under nitrogen
pka: 2.33 · 2.33±0.10(Predicted)
Aggregatzustand: liquid
BRN: 605827 · 605827
InChI: 1S/C4H5N3/c1-2-7-4-5-3-6-7/h2-4H,1H2
InChIKey: ITUNZCVRYICLQM-UHFFFAOYSA-N
SMILES: C=Cn1cncn1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

F: 10
wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1-Vinyl-1,2,4-triazole is mainly used in the preparation of poly(1-vinyl-1,2,4-triazole) and its copolymers.Introduction of 1-vinyl-1,2,4-triazole in polysaccharide based semi-degradable hydrogel to increase the equilibrium water content and endow hydrogels with anti-bacterial and anti-inflammatory abilities has also been reported.