2-ビニル-1,2,4-トリアゾール

1-Vinyl-1,2,4-triazole

HCID 565261CAS 2764-83-2

部分構造検索類似構造を探す

基本情報

標準SMILES: C=Cn1cncn1
InChIKey: ITUNZCVRYICLQM-UHFFFAOYSA-N
分子式: C4H5N3
平均分子量: 95.1 g/mol
単同位体質量: 95.04834716

概要

structure in first source

名称と識別子

優先名称: 1-Vinyl-1,2,4-triazole
IUPAC: 1-ethenyl-1,2,4-triazole
現地名: 2-ビニル-1,2,4-トリアゾール
英語名: 1-Vinyl-1,2,4-triazole
分子式: C4H5N3
分子量: 95.1

名称と別名

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

名称をさらに表示

2-ビニル-1,2,4-トリアゾール1-ビニル-1H-1,2,4-トリアゾール1-エテニル-1H-1,2,4-トリアゾール

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%

データベース識別子

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

物性

構造計算による物性

XLogP: 0.6
極性表面積: 30.7 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 7
形式電荷: 0
複雑度: 71.3

物理化学的性質

沸点: 103 · 103-104 °C(Press: 15 Torr)
比重(密度): 1.099 g/mL · 1.099 g/mL at 20 °C (lit.)
屈折率: 20 · n20/D 1.511
貯蔵温度: 2 · 2-8°C, stored under nitrogen
酸解離定数(Pka): 2.33 · 2.33±0.10(Predicted)
外見: 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

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

F: 10
wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 1 件

使用1-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.