2-Fluoro-5-methoxypyridine-3-boronic acid pinacol ester

HCID 124252332CAS 2121512-59-0

基本信息

标准SMILES: COc1cnc(F)c(B2OC(C)(C)C(C)(C)O2)c1
InChIKey: JWZPZLODSKDAEE-UHFFFAOYSA-N
分子式: C12H17BFNO3
平均分子量: 253.08 g/mol
单同位素质量: 253.12855202

名称与标识

首选名称: 2-Fluoro-5-methoxypyridine-3-boronic acid pinacol ester
IUPAC: 2-fluoro-5-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
中文名: 2-Fluoro-5-methoxypyridine-3-boronic acid pinacol ester
英文名: 2-Fluoro-5-methoxypyridine-3-boronic acid pinacol ester
分子式: C12H17BFNO3
分子量: 253.08

名称与别名

2121512-59-02-fluoro-5-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine2-Fluoro-5-methoxypyridine-3-boronic acid pinacol esterMFCD18779639Pyridine, 2-fluoro-5-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-DTXSID601139878CS-0189466E916762-fluoro-5-methoxy-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine2-氟-5-甲氧基吡啶-3-硼酸频哪醇酯

数据库标识

CAS: 2121512-59-0
PubChem CID: 124252332
DTXSID: DTXSID601139878
EC Number: 161-378-1

性质

结构计算性质

极性表面积: 40.6 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 2
重原子: 18
形式电荷: 0
复杂度: 298

物理化学性质

沸点: 363.6 · 363.6±42.0 °C(Predicted)
密度: 1.12 · 1.12±0.1 g/cm3(Predicted)
储存条件: 0 · Store at 0-8 °C
酸度系数(pKa): -3.07 · -3.07±0.10(Predicted)

安全与法规

GHS分类

GHS Classification · 4 条

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.

危害信息

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

化学与工业

供应商7 家

无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]

Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [email protected]

南京代盟化工有限公司025-66800956 18800000000 · [email protected]

威海怀信生物科技有限公司15662379806 · [email protected]

聊城莱博特生物医药科技有限公司0635-893290 · [email protected]

关联笔记

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