기본 정보
- CAS
52548-96-6- 표준 SMILES
O=C(O)c1cc(C(F)(F)F)ccc1Sc1ccccc1- InChIKey
QTOLCTUWRPDFOF-UHFFFAOYSA-N- 분자식
- C14H9F3O2S
- 평균 분자량
- 298.28 g/mol
- 단동위원소 질량
- 298.02753519
이름 및 식별자
- 우선 이름
- 2-Phenylthio-5-trifluoromethylbenzoic acid
- IUPAC
- 2-phenylsulfanyl-5-(trifluoromethyl)benzoic acid
- 현지명
- 2-카르복시-4-(트리플루오로메틸)디페닐황화물97
- 영어명
- 2-Carboxy-4-(trifluoromethyl)diphenylsulphide 97
- 분자식
- C14H9F3O2S
- 분자량
- 298.28
이름 및 동의어
2-Phenylthio-5-trifluoromethylbenzoic acid2-(phenylthio)-5-(trifluoromethyl)benzoic acidEINECS 257-998-8RefChem:478245257-998-852548-96-62-Carboxy-4-(trifluoromethyl)diphenylsulphide2-phenylsulfanyl-5-(trifluoromethyl)benzoic acid2-Phenylsulfanyl-5-trifluoromethyl-benzoic acidMFCD000691372-(phenylsulfanyl)-5-(trifluoromethyl)benzoic acid2-Carboxy-4-(trifluoromethyl)diphenyl sulphide
이름 더 보기
2-카르복시-4-(트리플루오로메틸)디페닐황화물972-(Phenylthio)-5-(trifluoromethyl)benzoicacid97%2-Carboxy-4-(trifluoromethyl)diphenylsulphide 972-Carboxy-4-(trifluoromethyl)diphenylsulphide 97%2-(Phenylthio)-5-(trifluoromethyl)benzoic acid 97%2-Carboxy-4-(trifluoromethyl)diphenyl sulphide, 2-(Phenylsulphanyl)-5-(trifluoromethyl)benzoic acid
2-Carboxy-4-(trifluoromethyl)diphenylsulfideBenzoic acid, 2-(phenylthio)-5-(trifluoromethyl)-SCHEMBL11709910DTXSID20966977AKOS011998267CS-0319893NS000590982-(phenylthio)-5-trifluoromethyl-benzoic acid
데이터베이스 식별자
- CAS
52548-96-6- PubChem CID
- 104231
- DTXSID
DTXSID20966977- EC Number
- 257-998-8
- Nikkaji
- J295.691H
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 62.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 340
실험 및 물리화학적 성질
PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
물리화학적 성질
- 녹는점
- 153 · 153-154°C
- 끓는 점
- 389.5 · 389.5±42.0 °C(Predicted)
- 밀도
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.01 · 3.01±0.36(Predicted)
- 물리적 상태
- 고체
- 색상
- 회백색
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.
Warning
H315 (33.3%): 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationStatus: Active Update: 29-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/23332
Hazard Classes and CategoriesSkin Irrit. 2 (33.3%)
안전 데이터
- HS 번호
- 2930909899
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 위험 참고 사항
- Irritant
화학 및 산업
공급사4 곳
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
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