4-アミノフェニルボロン酸塩酸塩

(4-Aminophenyl)boronic acid hydrochloride

HCID 2734614

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 80460-73-7
標準SMILES: Cl.Nc1ccc(B(O)O)cc1
InChIKey: QBYGJJSFMOVYOA-UHFFFAOYSA-N
分子式: C6H9BClNO2
平均分子量: 173.41 g/mol
単同位体質量: 173.04148661

名称と識別子

優先名称: (4-Aminophenyl)boronic acid hydrochloride
IUPAC: (4-aminophenyl)boronic acid;hydrochloride
現地名: 4-アミノフェニルボロン酸塩酸塩
英語名: 4-AMINOPHENYLBORONIC ACID HYDROCHLORIDE
分子式: C6H9BClNO2
分子量: 173.4

名称と別名

(4-aminophenyl)boronic Acid HydrochlorideRefChem:402413623-030-180460-73-74-Aminophenylboronic acid hydrochloride4-Aminobenzeneboronic acid hydrochlorideMFCD03001333(4-aminophenyl)boronic acid;hydrochloride4-AMINOPHENYLBORONIC ACID HCL(4-aminophenyl)boronicAcidHydrochlorideAC-69794-aminophenyl-boronic acid hydrochloride

名称をさらに表示

4-アミノフェニルボロン酸塩酸塩4-アミノフェニルボロン酸塩酸塩Aminophenylboronic acid(4-boronophenyl)azanium4-aminophenylboric acid4-AminophenylboronicacidCHl4-Boronoaniline hydrochloride4-AMINOBENZENEBORONIC ACID, HCL4-Aminophenylboronic acid salt,B-(4-Aminophenyl)boronic acid HCl4-Aminophenylboronic acid HCl Salt

SY017592SC-521504-Aminophenylboronic acid, HClBoronic acid, (4-aminophenyl)-, hydrochlorideSCHEMBL409374-borono-benzenaminium chlorideDTXSID80370394RB3072

データベース識別子

CAS: 80460-73-7
PubChem CID: 2734614
DTXSID: DTXSID80370394
EC Number: 623-030-1

物性

構造計算による物性

極性表面積: 66.5 Å²
水素結合供与体数: 4
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 102

物理化学的性質

融点: 141 · 141-143°C
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
溶解性: DMSO（微量）、メタノール（微量）
外見: 個体
色: ペールベージュ
安定性: 吸湿性
InChI: InChI=1S/C6H8BNO2.ClH/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,9-10H,8H2;1H
InChIKey: QBYGJJSFMOVYOA-UHFFFAOYSA-N
SMILES: B(C1C=CC(N)=CC=1)(O)O.Cl
CAS データベース: 80460 · 80460-73-7(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (87%): 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 46 reports by companies from 5 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 (87%)

安全データ

wgk: 1
hs_code: 29319090
risk_code: 36/37/38-22
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36/37/39-36-60-44-20/21
Hazard Classifications: Acute Tox. 4 Oral
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

使用4-Aminophenylboronic acid hydrochloride can be used to prepare:The modified reduced graphene composite material used as a sugar sensor to detect the analyte in fruit juice.The modified carbon electrode adsorbed with aminophenol, used for the detection of NADH and H2O2.The boron, nitrogen, and sulfur-doped carbon dot sensor, which in turn can be used for the detection of ascorbic acid.

一般的な説明May contain varying amounts of anhydride