트리플루오로메탄술폰산무수물
Trifluoromethanesulfonic anhydride
기본 정보
- CAS
358-23-6- 표준 SMILES
O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F- InChIKey
WJKHJLXJJJATHN-UHFFFAOYSA-N- 분자식
- C2F6O5S2
- 평균 분자량
- 282.14 g/mol
- 단동위원소 질량
- 281.90913442
개요
Triflic anhydride is an organosulfonic anhydride. It is functionally related to a triflic acid.
이름 및 식별자
- 우선 이름
- Trifluoromethanesulfonic anhydride
- IUPAC
- trifluoromethylsulfonyl trifluoromethanesulfonate
- 현지명
- 트리플루오로메탄술폰산무수물
- 영어명
- Trifluoromethanesulfonic anhydride
- 분자식
- C2F6O5S2
- 분자량
- 282.14
이름 및 동의어
Trifluoromethanesulfonic anhydride358-23-6Triflic anhydrideTrifluoromethanesulphonic anhydride8W034LHG1UTRIFLATE ANHYDRIDEMethanesulfonic acid, 1,1,1-trifluoro-, 1,1'-anhydrideCHEBI:48509DTXSID501014629RefChem:191596DTXCID101437174206-616-8
이름 더 보기
트리플루오로메탄술폰산무수물Trifluoromethylsulfonic anhydrideTFO2(trifluoroMethane)sulfonyl trifluoroMethanesulfonateTRIFLUOROMETHANESULFONYL ANHYDRIDE
trifluoromethanesulfonic acid anhydridetrifluoromethylsulfonyl trifluoromethanesulfonateMethanesulfonic acid, trifluoro-, anhydridetrifluoromethanesulphonic acid anhydrideTF2Otrifluoromethanesulfonyl trifluoromethanesulfonateC2F6O5S2triflic acid anhydride
데이터베이스 식별자
- CAS
358-23-6- PubChem CID
- 67749
- DTXSID
DTXSID501014629- ChEBI
CHEBI:48509- UNII
- 8W034LHG1U
- EC Number
- 206-616-8
- Nikkaji
- J39F
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 94.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 370
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Acid Anhydrides, Other
PFAS
PFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds
PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
SpringerMaterials PropertiesSchoenflies notation
Density1.677 @25 °C
Vapor Pressure
8.0 [mmHg]
8 [mm Hg] @20 °C
Physical DescriptionColorless hygroscopic liquid; [Merck Index] Clear colorless liquid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- -80 °C · -80°C
- 끓는 점
- 81 · 81-83 °C (lit.)
- 밀도
- 1.677 g/mL · 1.677 g/mL at 25 °C (lit.)
- 증기 밀도
- 5.2 · 5.2 (vs air)
- 증기압
- 8 mm · 8 mm Hg ( 20 °C)
- 굴절률
- 20 · n20/D 1.321(lit.)
- 인화점
- 81 · 81-83°C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H272 (51.1%): May intensify fire; oxidizer [Danger Oxidizing liquids; Oxidizing solids]
P210, P220, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 227 reports by companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Methanesulfonic acid, trifluoro-, anhydride
Status: Active Update: 03-04-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/22478
Trifluoromethanesulphonic anhydride: HSNO Approval: HSR004747 Approved with controls
Hazards Summary
Reacts violently with water; Corrosive; [Merck Index] Reacts violently with water; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; [Sigma-Aldrich MSDS] See Trifluoromethanesulfonic acid.
Hazard Classes and CategoriesOx. Liq. 2 (51.1%)
CSL Reaction Information
CSL00005
TETRAHYDROFURAN + Triflic anhydride
Can polymerize, large exotherm. Avoid combination on larger scale.
User-Reported
6/29/18
10/2/17
안전 및 보호
Protective Action Criteria (PAC)
3.0 [mg/m3]
화학 및 산업
용도 및 제조
UsesUsed as a reagent in synthetic organic chemistry; [Merck Index]
General Manufacturing InformationMethanesulfonic acid, 1,1,1-trifluoro-, 1,1'-anhydride: ACTIVE
응용 분야
개요Trifluoromethanesulfonic anhydride, also known as triflic anhydride, has proven to be an extraordinary reagent for a broad range of transformations. As a commercially and readily available reagent, It has been widely used in synthetic chemistry due to its high electrophilicity. Given its high affinity towards O-nucleophiles, reaction with alcohols, carbonyls, sulfur phosphorus- and iodine oxides towards the formation of the corresponding triflates is strongly favored. As one of the premier leaving groups in organic chemistry, the generated triflates then open the door to various downstream transformations, including (but not limited to) substitution reactions, cross-coupling processes, redox reactions, and rearrangements[1-2].
용도Trifluoromethanesulfonic Anhydride is a strong electrophile used in chemical synthesis for introducing the triflyl group.
상·하류 제품 정보
상류 원료
관련 반응
2,071건
화합물 노트
불러오는 중…