2-Amino-4-cyanobenzeneboronic acid hydrochloride

HCID 44118766

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 850568-47-7
標準SMILES: Cl.N#Cc1ccc(B(O)O)c(N)c1
InChIKey: XTCOKKVEUFHXBE-UHFFFAOYSA-N
分子式: C7H8BClN2O2
平均分子量: 198.42 g/mol
単同位体質量: 198.03673558

名称と識別子

優先名称: 2-Amino-4-cyanobenzeneboronic acid hydrochloride
IUPAC: (2-amino-4-cyanophenyl)boronic acid;hydrochloride
英語名: (2-Amino-4-cyano)benzeneboronic acid, hydrochloride
分子式: C7H8BClN2O2
分子量: 198.41

名称と別名

2-Amino-4-cyanobenzeneboronic acid hydrochlorideRefChem:464276804-953-0850568-47-7(2-Amino-4-cyanophenyl)boronic acid hydrochloride2-amino-4-cyanophenylboronic acid hydrochlorideMFCD06659820(2-amino-4-cyanophenyl)boronic acid;hydrochloride2-Amino-4-cyanophenylboronic acid, HCl(2-AMINO-4-CYANOPHENYL)BORONIC ACID HCL(2-amino-4-cyanophenyl)boronic acid,hydrochloride(2-Amino-4-cyano)benzeneboronic acid,hydrochloride

名称をさらに表示

(2-aMino-4-cyanophenyl)boronic acidB-(2-Amino-4-cyanophenyl)boronic acid HCl2-amino-3-cyanophenylboronic acid hydrochloride2-Amino-4-cyanobenzeneboronicacidhydrochloride97%(2-Amino-4-cyano)benzeneboronic acid, hydrochloride2-Amino-4-cyanobenzeneboronic acid hydrochloride 97%B-(2-amino-4-cyanophenyl)-Boronic acid hydrochloride (1:1)Boronic acid,B-(2-aMino-4-cyanophenyl)-, hydrochloride (1:1)

SCHEMBL1010311DTXSID50656975XTCOKKVEUFHXBE-UHFFFAOYSA-NAKOS006220667AB26398PS-9441DB-093611(2-Amino-4-cyanophenyl)boronicacidhydrochloride

データベース識別子

CAS: 850568-47-7
PubChem CID: 44118766
DTXSID: DTXSID50656975
EC Number: 804-953-0

物性

構造計算による物性

極性表面積: 90.3 Å²
水素結合供与体数: 4
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 201

物理化学的性質

融点: 214 · 214-218
貯蔵温度: -20 °C · Inert atmosphere,Store in freezer, under -20°C
外見: solid
色: White

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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.