2-Amino-6-chlorobenzoic acid (HCID 75071)

이름 및 식별자

우선 이름: 2-Amino-6-chlorobenzoic acid
IUPAC: 2-amino-6-chlorobenzoic acid
영어명: 2-Amino-6-chlorobenzoic acid
분자식: C7H6ClNO2
분자량: 171.58

이름 및 동의어

2-Amino-6-chlorobenzoic acid2148-56-3DTXSID401757616CABA cpdRefChem:85309DTXCID1098252218-416-86-Chloroanthranilic acidMFCD00051530Benzoic acid, 2-amino-6-chloro-2-amino-6-chloro-benzoic acid6-Chloranthranilsaure

이름 더 보기

LAQU-001RARECHEM AL BO 1514TIMTEC-BB SBB0017352-Amino-6-chlorobenz6-chloro-2-aMino acidAMino-6-chlorobenzoic acid6-AMINO-2-CHLOROBENZOC ACID2-choro-6-Aminobenzoic Acid2 mino-6-chlorobenzoic acid

NSC171896-chloro anthranilic acid2Amino-6-chlorobenzoic acidSCHEMBL1474372-amino-6-chloro benzoic acidorb2939778SCHEMBL1803965CS-D1462

데이터베이스 식별자

CAS: 2148-56-3
PubChem CID: 75071
DTXSID: DTXSID40175761
EC Number: 218-416-8
Nikkaji: J80.401K

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 63.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 163

물리화학적 성질

녹는점: 158 · 158-160 °C (lit.)
끓는 점: 250 °C · 250°C (rough estimate)
밀도: 1.3246 · 1.3246 (rough estimate)
굴절률: 1.556 · 1.5560 (estimate)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 0.97 · 0.97±0.10(Predicted)
물리적 상태: 결정성 분말
색상: 밝은 노란색에서 베이지색까지
수용성: 물에 매우 잘 녹습니다. 메탄올에 용해됩니다.
BRN: 2804041 · 2804041
주요 응용: 펩타이드 합성
InChI: InChI=1S/C7H6ClNO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,9H2,(H,10,11)
InChIKey: SZCPTRGBOVXVCA-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=C(Cl)C=CC=C1N
NIST: 2 · 2-Amino-6-chlorobenzoic acid(2148-56-3)

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 4건

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 54 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 30-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26144

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29224999
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2-Amino-6-chlorobenzoic acid is used as intermediate for medicine.

제조 방법 · 1건

A, in the reaction vessel being provided with agitator, thermometer, reflux condenser, Dropping funnel, add cerium chloride 0.16mol, 4-hydroxy 3-methoxybenzene ethanol solution 0.19mol, Klorvess Liquid 400-500ml, control mixing speed and exist 160-190rpm, rising solution temperature, to 60-65°C, is slowly added to 2-chloro-6-nitrobenzoyl acid solution 0.13mol, sulfurous acid Hydrogen potassium solution 200ml, raises mixing speed to 260-310rpm, back flow reaction 5-7h；B, reduction solution temperature, to 15-19°C, separate out solid, filter, and add diammonium hydrogen citrate solution 150-in filtrate 180ml, concentrating under reduced pressure, separate out solid, filter, dehydrant is dehydrated, brine, and pyridine solution washs, ethyl acetate solution Middle recrystallization, obtains crystal 2-amino-6-chlorobenzoic acid (C7H6ClNO2).