CAS 13570-00-8 3-(1H-Imidazol-2-yl)pyridine (HCID 12395500)

기본 정보

CAS: 13570-00-8
표준 SMILES: c1cncc(-c2ncc[nH]2)c1
InChIKey: ZQZJULZPQACTES-UHFFFAOYSA-N
분자식: C8H7N3
평균 분자량: 145.16 g/mol
단동위원소 질량: 145.06399724

이름 및 식별자

우선 이름: 3-(1H-Imidazol-2-yl)pyridine
IUPAC: 3-(1H-imidazol-2-yl)pyridine
현지명: 3-(1H-이미다졸-2-YL)-피리딘
영어명: 3-(1H-IMIDAZOL-2-YL)-PYRIDINE
분자식: C8H7N3
분자량: 145.16

이름 및 동의어

3-(1H-imidazol-2-yl)pyridine13570-00-8DTXSID40496206RefChem:273317DTXCID404470163-(1H-Imidazol-2-yl)-pyridinePyridine, 3-(1H-imidazol-2-yl)-3-(Imidazol-2-yl)-pyridine3-(2-Imidazolyl)pyridineMFCD084583692-(3-pyridyl)imidazole3-(1H-Imidazol-2-

이름 더 보기

3-(1H-이미다졸-2-YL)-피리딘3-(Imidazol-2-yl)-pyridine, CAS 13570-00-83-(1H-imidazol-2-yl)pyridine(SALTDATA: FREE)

2-(3-pyridyl)-imidazoleSCHEMBL297602SCHEMBL403414SCHEMBL4861976CHEMBL3274311SCHEMBL23036850SCHEMBL30231261ZQZJULZPQACTES-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 13570-00-8
PubChem CID: 12395500
DTXSID: DTXSID40496206
ChEMBL: CHEMBL3274311
EC Number: 103-814-5
Nikkaji: J2.550.714B

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 41.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 127

물리화학적 성질

녹는점: 196 · 196-198 °C
끓는 점: 384.9 · 384.9±25.0 °C(Predicted)
밀도: 1.214 · 1.214±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 12.2 · 12.20±0.10(Predicted)

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.