기본 정보
- CAS
88-23-3- 표준 SMILES
Nc1cc(Cl)cc(S(=O)(=O)O)c1O- InChIKey
YCTAOQGPWNTYJE-UHFFFAOYSA-N- 분자식
- C6H6ClNO4S
- 평균 분자량
- 223.63 g/mol
- 단동위원소 질량
- 222.97060635
개요
6-amino-4-chloro-1-phenol-2-sulfonic acid is an off-white solid. (NTP, 1992)
이름 및 식별자
- 우선 이름
- 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid
- IUPAC
- 3-amino-5-chloro-2-hydroxybenzenesulfonic acid
- 현지명
- 3-아미노-5-클로로-2-하이드록시벤젠설포닉산
- 영어명
- 2-Amino-4-chlorophenol-6-sulfonic acid
- 분자식
- C6H6ClNO4S
- 분자량
- 223.63
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
88-23-3- PubChem CID
- 6927
- DTXSID
DTXSID0024474- ChEMBL
CHEMBL3184757- UNII
- 83IP35P6EZ
- EC Number
- 201-813-5
- Nikkaji
- J28.729F
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 109 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 275
실험 및 물리화학적 성질
물리화학적 성질
- 밀도
- 1.79 · 1.790±0.06 g/cm3(Predicted)
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- -1.53 · -1.53±0.50(Predicted)
- 색상
- 흰색에서 거의 흰색
- EPA
- 2 · 2-Hydroxy-5-chlorometanilic acid (88-23-3)
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 3.6% (4 of 111) of reports.
Warning
H315 (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.
유해성 정보
안전 및 보호
First Aid
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.
Nonfire Spill Response
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.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
안전 데이터
- tsca
- TSCA listed
- ridadr
- 2811
- HS 번호
- 2922.29.8190
- risk_code
- 34
- hazard_code
- C
- safety_code
- 22-24/25-26-39
- 포장분류
- III
- 위험 등급
- 6.1
화학 및 산업
용도 및 제조
응용 분야
일반 설명Off-white solid.
제조 방법
생산 방법2-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.
상·하류 제품 정보
상류 원료
하류 제품
공급사80 곳
관련 반응
화합물 노트
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