CAS 109371-19-9 4-Methoxy-2,3,5-trimethylpyridine (HCID 127899)

基本情報

CAS: 109371-19-9
標準SMILES: COc1c(C)cnc(C)c1C
InChIKey: LELDJUYQEMKHJH-UHFFFAOYSA-N
分子式: C9H13NO
平均分子量: 151.21 g/mol
単同位体質量: 151.09971404

名称と識別子

優先名称: 4-Methoxy-2,3,5-trimethylpyridine
IUPAC: 4-methoxy-2,3,5-trimethylpyridine
英語名: 4-methoxy-2,3,5-trimethylpyridine
分子式: C9H13NO
分子量: 151.21

名称と別名

4-Methoxy-2,3,5-trimethylpyridine109371-19-94-MetmpPyridine, 4-methoxy-2,3,5-trimethyl-DTXSID40148915RefChem:99567DTXCID1071406Pyridine,4-methoxy-2,3,5-trimethyl-2-Hydromethyl-3,5-dimethyl-4-methoxypyridineMFCD12964312Omeprazole Impurity 82Esomeprazole Impurity 116

名称をさらに表示

Esomeprazole Impurity 112Omeprazole Related Compound 2Omeprazole Related Compound 2 (4-Methoxy-2, 3, 5-Trimethylpyridine)

SCHEMBL94922SCHEMBL94923Omeprazole related impurities 2LELDJUYQEMKHJH-UHFFFAOYSA-N4-methoxy-2,3,5-trimethyl-pyridineAKOS027326425AS-17264FM171840

データベース識別子

CAS: 109371-19-9
PubChem CID: 127899
DTXSID: DTXSID40148915
EC Number: 600-915-0
Nikkaji: J900.434C

物性

構造計算による物性

XLogP: 2
極性表面積: 22.1 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 127

物理化学的性質

沸点: 227.2 · 227.2±35.0 °C(Predicted)
比重(密度): 0.972 · 0.972±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 7.83 · 7.83±0.28(Predicted)

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 (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.

危険有害性情報

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

安全データ

危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H315

化学と産業

応用分野

使用4-Methoxy-2,3,5-trimethylpyridine is a reagent in the synthesis of Omeprazole, which is a proton pump inhibitor used for the reduction of stomach acids.