기본 정보
- CAS
102582-93-4- 표준 SMILES
O=C(O)Cc1ccc(SC(F)(F)F)cc1- InChIKey
BFDKCZMYQOSTJG-UHFFFAOYSA-N- 분자식
- C9H7F3O2S
- 평균 분자량
- 236.21 g/mol
- 단동위원소 질량
- 236.01188512
이름 및 식별자
- 우선 이름
- 4-(Trifluoromethylthio)phenylacetic acid
- IUPAC
- 2-[4-(trifluoromethylsulfanyl)phenyl]acetic acid
- 현지명
- 4-(트리플루오로메틸티오)페닐아세트산
- 영어명
- 4-(Trifluoromethylthio)phenylacetic acid
- 분자식
- C9H7F3O2S
- 분자량
- 236.21
이름 및 동의어
4-(Trifluoromethylthio)phenylacetic acid4-[(Trifluoromethyl)thio]phenylacetic acidDTXSID503807034-((Trifluoromethyl)thio)phenylacetic acidRefChem:517204DTXCID40331729622-471-7639-382-4102582-93-4243977-23-32-(4-((Trifluoromethyl)thio)phenyl)acetic acidBenzeneacetic acid, 4-[(trifluoromethyl)thio]-
이름 더 보기
4-(트리플루오로메틸티오)페닐아세트산RARECHEM AL BO 08624-(Trifluoromethylthio)phenylacetic acid,97%{[4-(Trifluoromethyl)phenyl]thio}aceticacid97%{[4-(Trifluoromethyl)phenyl]thio}acetic acid 97%Acetic acid, 2-[[4-(trifluoromethyl)phenyl]thio]-{[4-(Trifluoromethyl)phenyl]sulphanyl}acetic acid, 4-[(Carboxymethyl)thio]benzotrifluoride
MFCD002363512-[4-(trifluoromethylsulfanyl)phenyl]acetic Acid{4-[(trifluoromethyl)sulfanyl]phenyl}acetic acid2-{4-[(trifluoromethyl)sulfanyl]phenyl}acetic acid2-(4-(Trifluoromethylthio)phenyl)acetic acid2-[4-(trifluoromethylthio)phenyl]acetic acid2-[4-[(Trifluoromethyl)thio]phenyl]acetic Acid(4-trifluoromethylsulfanyl-phenyl)-acetic acid
데이터베이스 식별자
- CAS
102582-93-4、243977-23-3- PubChem CID
- 2777902
- DTXSID
DTXSID50380703- EC Number
- 622-471-7、639-382-4
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 62.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 222
물리화학적 성질
- 녹는점
- 114 · 114-118 °C(lit.)
- 끓는 점
- 315.6 · 315.6±42.0 °C(Predicted)
- 밀도
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 3.36 · 3.36±0.10(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
유해성 정보
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Skin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 2930909899
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 위험 등급
- IRRITANT
화학 및 산업
공급사51 곳
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
常州帝通化工有限公司+86-0519-88298848 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
南京林叶化学试剂有限公司13376084917 13376082704 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
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