2-클로로-6-(히드록시메틸)-4-요오도-3-피리디놀

2-Chloro-6-(hydroxymethyl)-4-iodo-3-pyridinol

HCID 10684568

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 208519-37-3
표준 SMILES: OCc1cc(I)c(O)c(Cl)n1
InChIKey: QZHXIGDVIINLKX-UHFFFAOYSA-N
분자식: C6H5ClINO2
평균 분자량: 285.47 g/mol
단동위원소 질량: 284.90535408

이름 및 식별자

우선 이름: 2-Chloro-6-(hydroxymethyl)-4-iodo-3-pyridinol
IUPAC: 2-chloro-6-(hydroxymethyl)-4-iodopyridin-3-ol
현지명: 2-클로로-6-(히드록시메틸)-4-요오도-3-피리디놀
영어명: 2-Chloro-6-(hydroxymethyl)-4-iodo-3-pyridinol
분자식: C6H5ClINO2
분자량: 285.47

이름 및 동의어

208519-37-32-Chloro-6-(hydroxymethyl)-4-iodo-3-pyridinolDTXSID10443520RefChem:259050DTXCID103943412-chloro-6-(hydroxymethyl)-4-iodopyridin-3-ol2-Chloro-3-hydroxy-6-(hydroxymethyl)-4-iodopyridineMFCD124986922-chloro-6-(hydroxymethyl)-4-iodo-pyridin-3-olSCHEMBL411890QZHXIGDVIINLKX-UHFFFAOYSA-NGEO-03676

이름 더 보기

2-클로로-6-(히드록시메틸)-4-요오도-3-피리디놀6-Chloro-5-hydroxy-4-iodopyridine-2-methanol2-Pyridinemethanol, 6-chloro-5-hydroxy-4-iodo-2-Chloro-3-hydroxy-6-(hydroxymethyl)-4-iodopyridine 97%2-Chloro-6-(hydroxymethyl)-4-iodopyridin-3-ol, 6-Chloro-5-hydroxy-4-iodopicolinyl alcohol2-chloro-6-(hydroxymethyl)-4-iodopyridin-3-ol,2-Chloro-6-(hydroxymethyl)-4-iodo-3-pyridinol

AKOS005072436ED-0058DA-43296CS-01390646-Chloro-5-hydroxy-4-iodo-2-pyridinemethanolE80258EN300-195168AU-004/43508085

데이터베이스 식별자

CAS: 208519-37-3
PubChem CID: 10684568
DTXSID: DTXSID10443520
EC Number: 689-459-1

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 53.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 138

물리화학적 성질

녹는점: 110 · 110-112°
끓는 점: 390 · 390.0±42.0 °C(Predicted)
밀도: 2.214 · 2.214±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 13 · 13.00±0.10(Predicted)
물리적 상태: solid
InChI: 1S/C6H5ClINO2/c7-6-5(11)4(8)1-3(2-10)9-6/h1,10-11H,2H2
InChIKey: QZHXIGDVIINLKX-UHFFFAOYSA-N
SMILES: OCc1cc(I)c(O)c(Cl)n1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.