3-Chloro-2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

HCID 53398545CAS 1083168-91-5

基本情報

標準SMILES: COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl
InChIKey: ZHWIZWNYOSGXSR-UHFFFAOYSA-N
分子式: C12H17BClNO3
平均分子量: 269.53 g/mol
単同位体質量: 269.09900148

名称と識別子

優先名称: 3-Chloro-2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC: 3-chloro-2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
英語名: 3-Chloro-2-methoxy-5-(4,4,5,5-tetramethyl-[1,3,2] dioxaborolan-2-yl)-pyridine
分子式: C12H17BClNO3
分子量: 269.53

名称と別名

1083168-91-53-chloro-2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine5-Chloro-6-methoxypyridine-3-boronic acid pinacol esterMFCD080630543-CHLORO-2-METHOXYPYRIDINE-5-BORONIC ACID PINACOL ESTER(5-CHLORO-6-METHOXYPYRIDIN-3-YL)BORONIC ACID PINACOL ESTERdioxaborolan-2-yl)-pyridine3-Chloro-2-methoxypyridine-5-boronicacidpinacolesterSCHEMBL3673238SCHEMBL29556254DTXSID90694497ZHWIZWNYOSGXSR-UHFFFAOYSA-N

名称をさらに表示

5-Chloro-6-methoxypyridine-3-boronicacidpinacolester,96%Pyridine, 3-chloro-2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-Chloro-2-methoxy-5-(4,4,5,5-tetramethyl-[1,3,2] dioxaborolan-2-yl)-pyridine3-Chloro-2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine - [C71303]3-chloro-2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxyclopentylboronalkane-2-yl)pyridine

AKOS015950179MB05256AS-42788SY255399DB-059736CS-0174397EN300-7407081F241803

データベース識別子

CAS: 1083168-91-5
PubChem CID: 53398545
DTXSID: DTXSID90694497
EC Number: 173-274-3

物性

構造計算による物性

極性表面積: 40.6 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 18
形式電荷: 0
複雑度: 298

物理化学的性質

貯蔵温度: 2 · 2-8°C
水溶解度: 水にわずかに溶ける。

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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%)

安全データ

hs_code: 2933399990

化学と産業

応用分野

使用5-Chloro-6-methoxypyridine-3-boronic acid pinacol ester is used as pharmaceutical intermediate.

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