6-Chloro-5-methylpyridin-3-ol

HCID 12852015CAS 54232-03-0

기본 정보

표준 SMILES: Cc1cc(O)cnc1Cl
InChIKey: UGDSWVXJJFIVAH-UHFFFAOYSA-N
분자식: C6H6ClNO
평균 분자량: 143.57 g/mol
단동위원소 질량: 143.0137915

이름 및 식별자

우선 이름: 6-Chloro-5-methylpyridin-3-ol
IUPAC: 6-chloro-5-methylpyridin-3-ol
영어명: 2-Chloro-5-hydroxy-3-methylpyridine
분자식: C6H6ClNO
분자량: 143.57

이름 및 동의어

6-Chloro-5-methylpyridin-3-ol54232-03-0DTXSID30511472RefChem:308027DTXCID90462279869-793-62-Chloro-5-hydroxy-3-methylpyridineMFCD115192956-Chloro-5-methyl-pyridin-3-ol3-Pyridinol, 6-chloro-5-methyl-2-CHLORO-5-HYDROXY-3-METHYLPYRDINESCHEMBL1765148

이름 더 보기

6-chloro-5-Methyl-3-Pyridinol2-Chloro-5-hydroxy-3-methylpyr2-Chloro-3-methyl-5-hydroxypyridine6-Chloro-5-methyl-3-hydroxy-pyridine2-Chloro-5-hydroxy-3-methylpyridine,97%2-Chloro-5-hydroxy-3-methylpyridine 96%

CHEMBL32369196-chloro-5-methylpyridine-3-olAMY8027UGDSWVXJJFIVAH-UHFFFAOYSA-NAKOS006326006CS-W003790DS-1932PB31577

데이터베이스 식별자

CAS: 54232-03-0
PubChem CID: 12852015
DTXSID: DTXSID30511472
ChEMBL: CHEMBL3236919
EC Number: 869-793-6

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 33.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 99

물리화학적 성질

끓는 점: 353 · 353.0±37.0 °C(Predicted)
밀도: 1.313 · 1.313±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): 8.81 · 8.81±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

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, 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)

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