6-クロロ-4-メチルピリジン-3-オール

2-Chloro-5-hydroxy-4-methylpyridine

HCID 71299549

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 1227502-89-7
標準SMILES: Cc1cc(Cl)ncc1O
InChIKey: MEQPPYQIIPZDIH-UHFFFAOYSA-N
分子式: C6H6ClNO
平均分子量: 143.57 g/mol
単同位体質量: 143.0137915

名称と識別子

優先名称: 2-Chloro-5-hydroxy-4-methylpyridine
IUPAC: 6-chloro-4-methylpyridin-3-ol
現地名: 6-クロロ-4-メチルピリジン-3-オール
英語名: 6-chloro-4-Methylpyridin-3-ol
分子式: C6H6ClNO
分子量: 143.57

名称と別名

2-Chloro-5-hydroxy-4-methylpyridineRefChem:469346811-242-96-Chloro-4-methylpyridin-3-ol1227502-89-73-Pyridinol, 6-chloro-4-methyl-MFCD166104716-CHLORO-4-METHYL-3-PYRIDINOLSCHEMBL15271037SCHEMBL304139486-chloro-4-methyl-pyridin-3-olDTXSID30744324

名称をさらに表示

6-クロロ-4-メチルピリジン-3-オール6-chloro-4-methylpyridine-3-ol6-Chloro-4-methylpyridin-3-ol, 2-Chloro-5-hydroxy-4-picoline

MEQPPYQIIPZDIH-UHFFFAOYSA-NCZB50289AKOS026744538AB71184AS-45771BL009435DA-19307SY067715

データベース識別子

CAS: 1227502-89-7
PubChem CID: 71299549
DTXSID: DTXSID30744324
EC Number: 811-242-9

物性

構造計算による物性

XLogP: 1.8
極性表面積: 33.1 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 99

物理化学的性質

沸点: 353 · 353.0±37.0 °C(Predicted)
比重(密度): 1.313 · 1.313±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C, stored under nitrogen
外見: powder
酸解離定数(Pka): 9.02 · 9.02±0.10(Predicted)
色: White

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.