1-비닐-1,2,4-트리아졸

1-Vinyl-1,2,4-triazole

HCID 565261CAS 2764-83-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C=Cn1cncn1
InChIKey: ITUNZCVRYICLQM-UHFFFAOYSA-N
분자식: C4H5N3
평균 분자량: 95.1 g/mol
단동위원소 질량: 95.04834716

개요

structure in first source

이름 및 식별자

우선 이름: 1-Vinyl-1,2,4-triazole
IUPAC: 1-ethenyl-1,2,4-triazole
현지명: 1-비닐-1,2,4-트리아졸
영어명: 1-Vinyl-1,2,4-triazole
분자식: C4H5N3
분자량: 95.1

이름 및 동의어

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

이름 더 보기

1-비닐-1,2,4-트리아졸

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%

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 30.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 7
형식 전하: 0
복잡도: 71.3

물리화학적 성질

끓는 점: 103 · 103-104 °C(Press: 15 Torr)
밀도: 1.099 g/mL · 1.099 g/mL at 20 °C (lit.)
굴절률: 20 · n20/D 1.511
저장 조건: 2 · 2-8°C, stored under nitrogen
산도 계수 (pKa): 2.33 · 2.33±0.10(Predicted)
물리적 상태: 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

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

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

화학 및 산업

응용 분야 · 1건

용도1-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.