Trifluoromethanesulfonic anhydride (HCID 67749)

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 Å²
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 · 2건

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 · 2건

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
저장 조건: 30 °C · Store below +30°C.
용해도: 디클로로메탄과 혼합 가능. 탄화수소와 섞이지 않습니다.
물리적 상태: 액체
Specific Gravity: 1.677 · 1.677
색상: 투명한 무색~연한 갈색
수용성: 물과 격렬하게 반응함
BRN: 1813600 · 1813600
안정성: 흡습성, 수분 민감성
InChI: 1S/C2F6O5S2/c3-1(4,5)14(9,10)13-15(11,12)2(6,7)8
InChIKey: WJKHJLXJJJATHN-UHFFFAOYSA-N
SMILES: FC(F)(F)S(=O)(=O)OS(=O)(=O)C(F)(F)F
LogP: 0.3 at · 0.3 at 25℃
NIST: Trifluoromethanesulfonic anhydride(358-23-6)
EPA: Methanesulfonic acid, trifluoro-, anhydride (358-23-6)

화학적 성질

clear colorless to light brown liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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 · 3건

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 · 1건

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 · 6건

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) · 3건

3.0 [mg/m3]

33 [mg/m3]

200 [mg/m3]

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
독성: LD50 orally in Rabbit: 1012 mg/kg
HS 번호: 29049020
risk_code: 14-21/22-34-35-22-40
hazard_code: C
safety_code: 26-36/37/39-43-45-8
포장분류: I
위험 등급: 8
F 고인화성물질: 10-21
위험 참고 사항: Corrosive
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Ox. Liq. 2Skin Corr. 1BSTOT SE 3
스토리지 클래스: 5.1B - Oxidizing hazardous materials
함량 및 규제정보: 물질구분: 유독물질; 혼합물(제품)함량정보: 무수 트리플루오로메탄술폰산[Trifluoromethanesulfonic anhydride; 358-23-6] 및 이를 5% 이상 함유한 혼합물
유해화학물질 필터링: 2020-1-958(신규화학물질)

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 · 2건

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

트리플루오로메탄술폰산 오산화 인 Benzenesulfonic acid, 4-methyl-, anhydride with trifluoromethanesulfonic acid (9CI)bromine trifluoromethanesulfonate 플루오로트리브로모메탄 트리플루오로메탄술폰산트리플루오로메틸에스테르

하류 제품

5-아미노-1,2,3-티아디아졸-4-카르복실산에틸에스테르 (S)-(-)-2,2'-Bis(di-p-tolylphosphino)-1,1'-binaphthyl 트로글리타존 1-플루오로-4-(트리플루오로메틸티오)벤젠 (S)-(-)-7,7'-Bis[di(3,5-dimethylphenyl)phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobiindane (S)-7,7'-비스[디(p-메틸페닐)포스피노]-1,1'-스피로빈단 (R)-(+)-7,7'-Bis[di(4-methylphenyl)phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobiindane (S)-(-)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl 3,5-Dimethylisoxazol-4-yl isocyanate (R)-(+)-7,7'-Bis(diphenylphosphino)-2,2',3,3'-tetrahydro-1,1'-spirobiindane N-Phenyl-bis(trifluoromethanesulfonimide)2-(트리메틸실릴)페닐트리플루오로로메테인설포네이트

공급사50 곳

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트리플루오로메탄술폰산무수물

기본 정보

개요