CAS 113534-57-9 2-(1H-1,2,4-triazol-1-yl)acetic acid hydrochloride (HCID 44887050)

기본 정보

CAS: 113534-57-9
표준 SMILES: Cl.O=C(O)Cn1cncn1
InChIKey: BYWALPXCJDSEDI-UHFFFAOYSA-N
분자식: C4H6ClN3O2
평균 분자량: 163.56 g/mol
단동위원소 질량: 163.0148541

이름 및 식별자

우선 이름: 2-(1H-1,2,4-triazol-1-yl)acetic acid hydrochloride
IUPAC: 2-(1,2,4-triazol-1-yl)acetic acid;hydrochloride

이름 및 동의어

2-(1H-1,2,4-triazol-1-yl)acetic acid hydrochlorideRefChem:451330971-420-8113534-57-9[1,2,4]Triazol-1-yl-acetic acid hydrochloride2-(1,2,4-triazol-1-yl)acetic acid;hydrochloride1,2,4-triazole-1-acetic acid hydrochlorideMFCD009555821,2,4-triazol-1-ylacetic acid hydrochlorideSCHEMBL1375589DTXSID00904695BYWALPXCJDSEDI-UHFFFAOYSA-N

이름 더 보기

NEA53457AKOS005259877DB-147568CS-01977891H-1,2,4-triazole-1-acetic acid,hydrochlorideEN300-12654522-(1,2,4)-triazol-1-ylacetic acid hydrochlorideF180292

데이터베이스 식별자

CAS: 113534-57-9
PubChem CID: 44887050
DTXSID: DTXSID00904695
EC Number: 971-420-8

물성

구조 계산 물성

극성 표면적: 68 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 116

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.