3-아미노-5-클로로-2-하이드록시벤젠설포닉산

3-아미노-5-클로로-2-하이드록시벤젠설포닉산 · 3-AMINO-5-CHLORO-2-HYDROXYBENZENESULFONIC ACID · 4-Chloro-2-amino-6-sulfonicacid · 5-Chloro-2-hydroxymetanilic acid · 2-Amino-4-chlorphenol-6-sulfonsure · Metanilic acid, 5-chloro-2-hydroxy- · 2-Amino-4-chlorophenol-6-sulfonicAci · 4-CHLORO-2-AMINOPHENOL-6-SULFONIC ACID

https://huagongshe.com/ko/chemical/6927

식별자 및 물리적 특성

CAS No.	88-23-3
분자식	C6H6ClNO4S
평균 분자량	223.63 g/mol
단동위원소 질량	222.97060635 g/mol
SMILES	Nc1cc(Cl)cc(S(=O)(=O)O)c1O
InChIKey	YCTAOQGPWNTYJE-UHFFFAOYSA-N
PubChem CID	6927
ChEMBL	CHEMBL3184757
EC No.	201-813-5
DTXSID	DTXSID0024474
현지명	3-아미노-5-클로로-2-하이드록시벤젠설포닉산

화학 및 물리적 성질

XLogP	0.8
극성 표면적	109
수소 결합 공여자 수	3
수소 결합 수용자 수	5
회전 가능 결합 수	1
무거운 원자 수	13
형식 전하	0
복잡도	275
용해도	less than 1 mg/mL at 70 °F (NTP, 1992)
Physical Description	6-amino-4-chloro-1-phenol-2-sulfonic acid is an off-white solid. (NTP, 1992)
밀도	1.790±0.06 g/cm3(Predicted)
저장 조건	Keep in dark place,Inert atmosphere,Room temperature
물리적 상태	powder to crystal
pKa(산도 계수)	-1.53±0.50(Predicted)
색상	흰색에서 거의 흰색
EPA	2-Hydroxy-5-chlorometanilic acid (88-23-3)

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 3.6% (4 of 111) of reports.WarningH315 (96.4%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 111 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Status: Active Update: 24-09-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/10562
화재 위험	Flash point data are not available for this compound, but it is probably combustible. (NTP, 1992)
건강 유해성	SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes and mucous membranes.
반응성 그룹	Phenols and Cresols
Reactivity Profile	6-AMINO-4-CHLORO-1-PHENOL-2-SULFONIC ACID may react with strong oxidizing or reducing agents and with mineral acids and bases (NTP, 1992)
Air and Water Reactions	May be sensitive to prolonged exposure to air and/or light. Insoluble in water.
Hazard Classes and Categories	Skin Irrit. 2 (96.4%)
소화	Fires involving this compound should be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
응급 처치	EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
비화재 누출 대응	SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

용도

일반 설명

Off-white solid.

제조 및 합성 방법

생산 방법

2-Amino-4-chlorophenol-6-sulfonic acid obtained from p-chlorophenol by sulfonation and nitration is reduced with iron and hydrochloric acid without being precipitated. After filtering from the iron sludge, the highly alkaline reduction liquor is concentrated by evaporation and decolorized with activated carbon. Upon acidification 3-amino-5-chloro-2-hydroxybenzenesulfonic acid precipitates. Yield 72 %, based on p-chlorophenol.