Ethyl trifluoromethanesulphonate
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기본 정보
- CAS
425-75-2- 표준 SMILES
CCOS(=O)(=O)C(F)(F)F- InChIKey
UVECLJDRPFNRRQ-UHFFFAOYSA-N- 분자식
- C3H5F3O3S
- 평균 분자량
- 178.13 g/mol
- 단동위원소 질량
- 177.99114968
이름 및 식별자
- 우선 이름
- Ethyl trifluoromethanesulphonate
- IUPAC
- ethyl trifluoromethanesulfonate
- 영어명
- Ethyl trifluoromethanesulfonate
- 분자식
- C3H5F3O3S
- 분자량
- 178.13
이름 및 동의어
Ethyl trifluoromethanesulfonate425-75-2Ethyl trifluoromethanesulphonateEINECS 207-037-3DTXSID3059979Methanesulfonic acid, 1,1,1-trifluoro-, ethyl esterRefChem:596427DTXCID0040123207-037-3Ethyl TriflateTrifluoromethanesulfonic acid ethyl esterC3H5F3O3S
이름 더 보기
Ethyl trifluoromethanesulfEthyltrifluormethansulfonatEthyl trifluoromethanesulfoteEthyl trifluoromethesulfonateETHYL TRIFLUROMETHANSULFONATEEthyl trifluoromethylsulfonateEthyl trifluoroMethanesulfonatETHYL TRIFLURO METHANESULFONATE
ethyltrifluoromethanesulfonateMethanesulfonic acid, trifluoro-, ethyl esterMFCD00000410ethyl (trifluoromethyl)sulfonateEthyl trifiateEtOTfSCHEMBL47322ethyl trifluoromethane sulfonate
데이터베이스 식별자
- CAS
425-75-2- PubChem CID
- 67924
- DTXSID
DTXSID3059979- EC Number
- 207-037-3
- Nikkaji
- J196.102K
물성
구조 계산 물성보충 중
- XLogP
- 1.2
- 극성 표면적
- 51.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 186
물리화학적 성질
- 끓는 점
- 115 °C · 115 °C (lit.)
- 밀도
- 1.374 g/mL · 1.374 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.336(lit.)
- 인화점
- 96 °F · 96 °F
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 에 용해됨클로로포름, 메탄올 (약간 용해됨)
- 물리적 상태
- 기름
- 색상
- 무색
- Specific Gravity
- 1.374 · 1.374
- 수용성
- 물에서 가수분해됩니다.
- BRN
- 1770746 · 1770746
- 안정성
- 휘발성 물질
- InChI
- 1S/C3H5F3O3S/c1-2-9-10(7,8)3(4,5)6/h2H2,1H3
- InChIKey
- UVECLJDRPFNRRQ-UHFFFAOYSA-N
- SMILES
- CCOS(=O)(=O)C(F)(F)F
- EPA
- Methanesulfonic acid, trifluoro-, ethyl ester (425-75-2)
화학적 성질
Clear colorless to yellow liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P203, P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 72 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationMethanesulphonic acid, trifluoro-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 2920 8/PG 2
- HS 번호
- 29049090
- risk_code
- 10-34
- hazard_code
- C,T,F
- safety_code
- 16-26-36/37/39-45
- 포장분류
- II
- 위험 등급
- 8
- F 고인화성물질
- 3
- 위험 참고 사항
- Highly Toxic
- Hazard Classifications
- Flam. Liq. 3Skin Corr. 1B
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
General Manufacturing InformationMethanesulfonic acid, 1,1,1-trifluoro-, ethyl ester: ACTIVE
응용 분야
개요Ethyl trifluoromethanesulfonate is a cationic polymerization agent used to produce polyurethane, polyacrylate, and other synthetic resins. It is an effective drug for the treatment of HIV infection and chronic bronchitis. Ethyl trifluoromethanesulfonate has been shown to inhibit the replication of HIV-1 virus at concentrations as low as 1 μM when tested in vitro. The mechanism of this drug's anti-HIV activity is unknown and may involve the inhibition of reverse transcriptase or proteases. Ethyl trifluoromethanesulfonate can be detected in vivo up to 4 hours after administration. This drug is metabolized into trifluoroacetic acid by esterases, glycosidases, and/or oxidases.
용도Ethyl trifluoromethanesulfonate is a powerful ethylating agent. due to the strong electron-absorbing ability of trifluoromethanesulfonyl, the reactivity is much higher than that of conventional alkylation reagents such as bichloride or alkyl sulfonate.
상·하류 제품 정보
상류 원료
관련 반응
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