2-아미노-4-클로로 안식향산

2-아미노-4-클로로안식향산 · 4-CHLOROANTHRANILIC ACID · 2,4-ACBA · LR-81 · 2-Amino-4-chL · RARECHEM AL BO 0400 · 2-Amino-4-chlorobenz · 4-chloro-2-aMino acid

https://huagongshe.com/ko/chemical/66646

식별자 및 물리적 특성

CAS No.	89-77-0
분자식	C7H6ClNO2
평균 분자량	171.58 g/mol
단동위원소 질량	171.00870611 g/mol
SMILES	Nc1cc(Cl)ccc1C(=O)O
InChIKey	JYYLQSCZISREGY-UHFFFAOYSA-N
PubChem CID	66646
ChEBI	CHEBI:194581
EC No.	201-938-5
DTXSID	DTXSID80237473
현지명	2-아미노-4-클로로 안식향산

화학 및 물리적 성질

XLogP	1.6
극성 표면적	63.3
수소 결합 공여자 수	2
수소 결합 수용자 수	3
회전 가능 결합 수	1
무거운 원자 수	11
형식 전하	0
복잡도	163
녹는점	231-233 °C (lit.)
끓는 점	250°C (rough estimate)
밀도	1.3246 (rough estimate)
굴절률	1.5560 (estimate)
저장 조건	Keep in dark place,Sealed in dry,Room Temperature
용해도	almost transparency in 1mol/L NaOH
pKa(산도 계수)	4.71±0.10(Predicted)
물리적 상태	가루
색상	베이지부터 연한 브라운까지
용해도	약간 용해됨
BRN	743349
주요 응용	펩타이드 합성
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
NIST	2-Amino-4-chlorobenzoic acid(89-77-0)

화학적 성질

off-white powder

안전 및 규제

GHS 분류	WarningH315 (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.
규제 정보	Status: Active Update: 08-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25781Benzoic acid, 2-amino-4-chloro-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Skin Irrit. 2 (100%)
수질 위해 등급(WGK)	3
RTECS 번호	DG1570000
관세 코드	29163990
위험 문구(R)	36/37/38-20/21/22
위험 표시	Xi,Xn
안전 문구(S)	26-36-37/39
위험 등급	Eye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류	11 - Combustible Solids

용도

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].