(6-Chloropyridin-3-yl)methanol (HCID 177161)

名称と識別子

優先名称: (6-Chloropyridin-3-yl)methanol
IUPAC: (6-chloro-3-pyridinyl)methanol
現地名: 6-クロロ-3-ピリジンメタノール
英語名: 2-Chloro-5-hydroxymethylpyridine
分子式: C6H6ClNO
分子量: 143.57

名称と別名

21543-49-7(6-chloropyridin-3-yl)methanolDTXSID20175880RefChem:209733DTXCID7098371628-017-42-Chloro-5-hydroxymethylpyridine2-Chloro-5-(hydroxymethyl)pyridine6-Chloro-3-pyridinemethanol2-Chloro-5-pyridinemethanol(6-Chloro-3-pyridinyl)methanol6-Chloropyridine-3-methanol

名称をさらに表示

6-クロロ-3-ピリジンメタノール2-クロロ-5-(ヒドロキシメチル)ピリジン(6-クロロ-3-ピリジニル)メタノール(6-クロロピリジン-3-イル)メタノール2-クロロ-5-ヒドロキシメチルピリジンoro-3-pyridinyLLazabemide Impurity 1302-Chloro-5-Hydroxymethyl3-PyridineMethanol,6-chloro-(6-Chlorpyridin-3-yl)methanol

3-PYRIDINEMETHANOL, 6-CHLORO-MFCD010752266-chloro-3-pyridylmethanol5-hydroxymethyl-2-chloropyridine(6-chloro-3-pyridyl)methanol6-CHLORO-3-(HYDROXYMETHYL)PYRIDINE6-chloro-3-pyridinecarbinolXD33A4CCQ8

データベース識別子

CAS: 21543-49-7
PubChem CID: 177161
DTXSID: DTXSID20175880
UNII: XD33A4CCQ8
EC Number: 628-017-4
Nikkaji: J831.777A

物性

構造計算による物性

XLogP: 0.9
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: 1
重原子数: 9
形式電荷: 0
複雑度: 89

物理化学的性質

融点: 51 · 51-54 °C (lit.)
沸点: 120 °C · 120°C 0,4mm
比重(密度): 1.28 · 1.280
闪点: 230 °F · >230 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: soluble in Methanol
外見: 粉末または低融点固体
酸解離定数(Pka): 13.32 · 13.32±0.10(Predicted)
色: 白から茶色
BRN: 1525126 · 1525126
InChI: InChI=1S/C6H6ClNO/c7-6-2-1-5(4-9)3-8-6/h1-3,9H,4H2
InChIKey: GOXYBEXWMJZLJB-UHFFFAOYSA-N
SMILES: C1=NC(Cl)=CC=C1CO
CAS データベース: 21543 · 21543-49-7(CAS DataBase Reference)

化学的性質

化学的特性White solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): 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)

Aggregated GHS information provided per 47 reports by companies from 7 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.

危険有害性情報

Regulatory InformationCommission Regulation No 844/2012

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)

法規制情報

Regulatory InformationCommission Regulation No 844/2012

安全データ

wgk: 3
hs_code: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

使用2-Chloro-5-hydroxymethylpyridine is a metabolite of the active substance 2-chloro-5,6-dihydroxymethylpyridine (mk-0674), which has been shown to inhibit cytochrome P450 enzymes. It is found in urine samples from patients treated with mk-0674 and can be used to monitor the efficacy of treatment.