2-Amino-4-chlorobenzoic acid (HCID 66646)

概要

2-Amino-4-chlorobenzoic acid is an aminobenzoic acid.

名称と識別子

優先名称: 2-Amino-4-chlorobenzoic acid
IUPAC: 2-amino-4-chlorobenzoic acid
現地名: 4-クロロアントラニル酸
英語名: 2-Amino-4-chlorobenzoic acid
分子式: C7H6ClNO2
分子量: 171.58

名称と別名

2-Amino-4-chlorobenzoic acid89-77-04-Chloroanthranilic acidAnthranilic acid, 4-chloro-G55K85R12HNSC-17188DTXSID802374734CABA cpdRefChem:521916DTXCID80159964201-938-5Benzoic acid, 2-amino-4-chloro-

名称をさらに表示

4-クロロアントラニル酸4-クロロ-2-アミノ安息香酸2-アミノ-4-クロロ安息香酸2アミノ4クロロ安息香酸2‐アミノ‐4‐クロロ安息香酸4-クロロアンスラニル酸2,4-ACBALR-812-Amino-4-chLRARECHEM AL BO 04002-Amino-4-chlorobenz4-chloro-2-aMino acid4-Chloro-2-Aminobenzoic4-chloro-anthranilicaci

MFCD000077784-Chloro anthranilic acid2-amino-4-chloro-benzoic acid4-chloro-2-aminobenzoic acid4-Chloroanthranil acidMefatinib Impurity 1EINECS 201-938-5BRN 0743349

データベース識別子

CAS: 89-77-0
PubChem CID: 66646
DTXSID: DTXSID80237473
ChEBI: CHEBI:194581
UNII: G55K85R12H
EC Number: 201-938-5
Nikkaji: J4.307I

物性

構造計算による物性

XLogP: 1.6
極性表面積: 63.3 Å²
水素結合供与体数: 2
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: 163

物理化学的性質

融点: 231 · 231-233 °C (lit.)
沸点: 250 °C · 250°C (rough estimate)
比重(密度): 1.3246 · 1.3246 (rough estimate)
屈折率: 1.556 · 1.5560 (estimate)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: 1 mol/L · almost transparency in 1mol/L NaOH
酸解離定数(Pka): 4.71 · 4.71±0.10(Predicted)
外見: 粉
色: ベージュからライトブラウン
水溶解度: わずかに溶ける
BRN: 743349 · 743349
主な用途: ペプチド合成
InChI: InChI=1S/C7H6ClNO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H,10,11)
InChIKey: JYYLQSCZISREGY-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC=C(Cl)C=C1N
CAS データベース: 89 · 89-77-0(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Amino-4-chlorobenzoic acid(89-77-0)

化学的性質

化学的特性off-white powder

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)

Aggregated GHS information provided per 56 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 08-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25781

Benzoic acid, 2-amino-4-chloro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
rtecs: DG1570000
hs_code: 29163990
risk_code: 36/37/38-20/21/22
化審法: (3)-1480
hazard_code: Xi,Xn
safety_code: 26-36-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

使用2-Amino-4-chlorobenzoic acid serves as the ligand L in the solvothermal synthesis of the terbium complex [Tb(L)2(H2O)3·H2O], which exhibits bright yellow-green luminescence[1]. 2-Amino-4-chlorobenzoic acid (2-A-4-CBA), acting as the first ligand, combines with 1,10-phenanthroline, the second ligand, to form the neodymium ternary complex Eu(2-A-4-CBA)₃phen. The compound is dissolved in ethanol to serve as a reference standard in thin layer chromatography (TLC) for detecting unreacted ligands in synthesized complexes[2].