2-(クロロメチル)ニコチン酸メチル

Methyl 2-(chloromethyl)pyridine-3-carboxylate

HCID 19081344

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 177785-14-7
標準SMILES: COC(=O)c1cccnc1CCl
InChIKey: AMIVNKVBDFJAFD-UHFFFAOYSA-N
分子式: C8H8ClNO2
平均分子量: 185.61 g/mol
単同位体質量: 185.02435618

名称と識別子

優先名称: Methyl 2-(chloromethyl)pyridine-3-carboxylate
IUPAC: methyl 2-(chloromethyl)pyridine-3-carboxylate
現地名: 2-(クロロメチル)ニコチン酸メチル
英語名: Methyl 2-(chloromethyl)nicotinate
分子式: C8H8ClNO2
分子量: 185.61

名称と別名

177785-14-7METHYL 2-(CHLOROMETHYL)PYRIDINE-3-CARBOXYLATEDTXSID00597889RefChem:353917DTXCID90548648862-201-7METHYL 2-(CHLOROMETHYL)NICOTINATE3-Pyridinecarboxylic acid, 2-(chloromethyl)-, methyl esterMFCD106994382-Chloromethyl-nicotinic acid methyl ester2-Chloromethyl-pyridine-3-carboxylic acid methyl ester2-(CHLOROMETHYL)NICOTINIC ACID METHYL ESTER

名称をさらに表示

2-(クロロメチル)ニコチン酸メチルMethyl 2-(chloromethyl)nicotinate - [M70459]METHYL 2-(CHLOROMETHYL)NICOTINATE ISO 9001：2015 REACH

SCHEMBL242591methyl (chloromethyl)nicotinatemethyl2-(chloromethyl)nicotinateSCHEMBL29363643AMIVNKVBDFJAFD-UHFFFAOYSA-NMethyl 2-(chloroomethyl)nicotinateCHA78514AKOS006303203

データベース識別子

CAS: 177785-14-7
PubChem CID: 19081344
DTXSID: DTXSID00597889
EC Number: 862-201-7

物性

構造計算による物性

XLogP: 1.1
極性表面積: 39.2 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 12
形式電荷: 0
複雑度: 163

物理化学的性質

沸点: 279.4 · 279.4±30.0 °C(Predicted)
比重(密度): 1.252 · 1.252±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 1.67 · 1.67±0.22(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

注意喚起語: 危険
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 H302

化学と産業

応用分野 · 1 件

使用Methyl 2-(chloromethyl)nicotinate is an intermediate used in synthesizing NAI 1 (N215005), which is used in the process of visualizing the physical basis for molecular behavious inside living cells. RNAs are central to biological regulation and this molecule aids in the first global view of RNA secondary structures in living cells for all four bases.