2-(クロロメチル)-4-メトキシ-3,5-ジメチルピリジン塩酸塩

2-(Chloromethyl)-3,5-dimethyl-4-methoxypyridine hydrochloride

HCID 11694258

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 86604-75-3
標準SMILES: COc1c(C)cnc(CCl)c1C.Cl
InChIKey: LCJDHJOUOJSJGS-UHFFFAOYSA-N
分子式: C9H13Cl2NO
平均分子量: 222.11 g/mol
単同位体質量: 221.0374194

名称と識別子

優先名称: 2-(Chloromethyl)-3,5-dimethyl-4-methoxypyridine hydrochloride
IUPAC: 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine;hydrochloride
現地名: 2-(クロロメチル)-4-メトキシ-3,5-ジメチルピリジン塩酸塩
英語名: 2-Chloromethyl-4-methoxy-3,5-dimethylpyridine hydrochloride
分子式: C9H13Cl2NO
分子量: 222.11

名称と別名

86604-75-32-(Chloromethyl)-4-methoxy-3,5-dimethylpyridine HydrochlorideJNE3843NE32-(chloromethyl)-3,5-dimethyl-4-methoxypyridine hydrochlorideEC 617-892-8CC-993OMEPRAZOLE IMPURITY XI [EP IMPURITY]Pyridine, 2-(chloromethyl)-4-methoxy-3,5-dimethyl-, hydrochloride (1:1)OMEPRAZOLE IMPURITY XI (EP IMPURITY)RefChem:460171617-892-82-CHLOROMETHYL-3,5-DIMETHYL-4-METHOXYPYRIDINE HYDROCHLORIDE

名称をさらに表示

2-(クロロメチル)-4-メトキシ-3,5-ジメチルピリジン塩酸塩Omeprazole chloride2-CHLOROMETHYL-3,5-DIMETHYL-4-METHOXYPYRIDINE HCL2-CHLORO METHYL-3,5-DIMETHLY-4-METHOXY PYRIDINE HCLCMDMTENA-006Esomeprazole INTOmeprazole ChloroOrmazine chloride

2-Chloromethyl-4-methoxy-3,5-dimethylpyridine hydrochlorideMFCD002774722-(CHLOROMETHYL)-4-METHOXY-3,5-DIMETHYLPYRIDINE HCL2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine;hydrochloride2-Chloromethyl-4-methoxy-3,5-dimethylpyridine hydrochloride, 98%2-(Chloromethyl)-4-methoxy-3,5-dimethylpyridine hydrochloride (1:1); Pyridine, 2-(chloromethyl)-4-methoxy-3,5-dimethyl-, hydrochloride (9CI); 2-(Chloromethyl)-3,5-dimethyl-4-methoxypyridine hydrochloride; 2-(Chloromethyl)-4-methoxy-3,5-dimethylpyridine hydrochloride; 3,5-Dimethyl-2-chloromethyl-4-methoxypyridine hydrochloride; Cc-9932-(chloromethyl)-4-methoxy-3,5-dimethyl-pyridine HydrochloridePyridine, 2-(chloromethyl)-4-methoxy-3,5-dimethyl-, hydrochloride

データベース識別子

CAS: 86604-75-3
PubChem CID: 11694258
DTXSID: DTXSID80470727
UNII: JNE3843NE3
EC Number: 617-892-8

物性

構造計算による物性

極性表面積: 22.1 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: 2
重原子数: 13
形式電荷: 0
複雑度: 142

物理化学的性質

融点: 128 · 128-131 °C(lit.)
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: クロロホルム（微量）、メタノール（微量）
外見: 個体
色: ホワイトからオフホワイト
水溶解度: 水に溶ける。
InChI: InChI=1S/C9H12ClNO.ClH/c1-6-5-11-8(4-10)7(2)9(6)12-3;/h5H,4H2,1-3H3;1H
InChIKey: LCJDHJOUOJSJGS-UHFFFAOYSA-N
SMILES: C1(CCl)=NC=C(C)C(OC)=C1C.[H]Cl
CAS データベース: 86604 · 86604-75-3(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

This chemical does not meet GHS hazard criteria for 8.3% (1 of 12) of reports.

Danger

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 12 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 25-10-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20934

Hazard Classes and CategoriesAcute Tox. 4 (25%)

安全データ

wgk: 3
ridadr: 3261
hs_code: 29333990
risk_code: 34
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
Hazard Classifications: Aquatic Chronic 4Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

用途有機合成原料。

使用2-Chloromethyl-4-methoxy-3,5-dimethylpyridine hydrochloride is used as pharmaceutical intermediates. It is an intermediate in the production of the antiulcer agent Omeprazole.