1-Vinyl-1,2,4-triazole

HCID 565261CAS 2764-83-2

Substructure search Find similar structures

Basic information

Standard SMILES: C=Cn1cncn1
InChIKey: ITUNZCVRYICLQM-UHFFFAOYSA-N
Molecular formula: C4H5N3
Average molar mass: 95.1 g/mol
Monoisotopic mass: 95.04834716

Overview

structure in first source

Names & identifiers

Preferred name: 1-Vinyl-1,2,4-triazole
IUPAC: 1-ethenyl-1,2,4-triazole
English name: 1-Vinyl-1,2,4-triazole
Molecular formula: C4H5N3
Molecular weight: 95.1

Names & synonyms

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

Show more names

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%

Database identifiers

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

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 30.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 71.3

Physicochemical properties

Boiling point: 103 · 103-104 °C(Press: 15 Torr)
Density: 1.099 g/mL · 1.099 g/mL at 20 °C (lit.)
refractive index: 20 · n20/D 1.511
storage temp.: 2 · 2-8°C, stored under nitrogen
pka: 2.33 · 2.33±0.10(Predicted)
form: liquid
Appearance: Colorless to light yellow 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
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
F: 10 · 10
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F: 10
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses1-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.