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HCID 3690598作成日：2026年10月23日

3-(2-Cyanoethylaminocarbonyl)benzeneboronic acid

(3-((2-Cyanoethyl)carbamoyl)phenyl)boronic acid · 3-(2-CYANOETHYLAMINOCARBONYL)PHENYLBORONIC ACID · 3-(2-CYANOETHYLAMINOCARBONYL)BENZENEBORONIC ACID · 3-(2-Cyanoethylcarbamoyl)benzeneboronic acid, 95% · 3-(2-Cyanoethylaminocarbonyl)benzeneboronic acid 95% · 3-(2-Cyanoethylaminocarbonyl)benzeneboronic acid ,95% · Boronic acid, B-[3-[[(2-cyanoethyl)amino]carbonyl]phenyl]-

https://huagongshe.com/ja/chemical/3690598

3-(2-Cyanoethylaminocarbonyl)benzeneboronic acid の分子構造式

識別子と物理属性

CAS No.762262-11-3
分子式C10H11BN2O3
平均分子量218.02 g/mol
単同位体質量218.08627261 g/mol
SMILESN#CCCNC(=O)c1cccc(B(O)O)c1
InChIKeyRIXOLHWXBQWQFL-UHFFFAOYSA-N
PubChem CID3690598
EC No.800-536-2
DTXSIDDTXSID70395096

化学・物理的性質

極性表面積93.4
水素結合供与体数3
水素結合受容体数4
回転可能結合数4
重原子数16
形式電荷0
複雑度287
融点226-236°C
密度1.27±0.1 g/cm3(Predicted)
貯蔵条件2-8°C
外観・状態solid
pKa（酸解離定数）7.82±0.10(Predicted)
色Off White
CAS データベース762262-11-3

安全性と法規制

GHS 分類WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 4 (50%)
税関コード2931900090
危険文句（R）36/37/38
危険表示Xi
hazard_noteIrritant
安全措置（S）26-36/37/39