Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
트리플루오로메탄술폰산
트라이플루오로메탄설폰산 · 트리플루오로메탄술폰산 · 트리플릭산 · 퍼플루오로메탄술폰산 · TFOH · TRIFLIC ACID · HOTf · TFMSA
식별자 및 물리적 특성
| CAS No. | 1493-13-6 |
|---|---|
| 분자식 | CHF3O3S |
| 평균 분자량 | 150.08 g/mol |
| SMILES | O=S(=O)(O)C(F)(F)F |
| InChIKey | ITMCEJHCFYSIIV-UHFFFAOYSA-N |
| PubChem CID | 62406 |
| ChEMBL | CHEMBL1236265 |
| ChEBI | CHEBI:48511 |
| EC No. | 216-087-5 |
| DTXSID | DTXSID2044397 |
| 현지명 | 트리플루오로메탄술폰산 |
화학 및 물리적 성질
| XLogP | 0.3 |
|---|---|
| 극성 표면적 | 62.8 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 158 |
| 물질 분류 | Other Classes -> Organic AcidsIonic Liquids -> Fluorinated Ionic Liquids |
| PFAS | PFAS -> Perfluorosulfonic acidsPFAS -> Ultra Short Chain PFsulfonic acidsPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008PFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compoundsPFAS -> PFAS with analytical method available |
| SpringerMaterials Properties | Schoenflies notation |
| 식품 첨가물 | Use unspecified -> FDA Substance added to food |
| 밀도 | 1.696 @25 °C1.696 g/mL at 25 °C (lit.) |
| 끓는 점 | 162 °C @760 [mm Hg]162 °C (lit.) |
| 녹는점 | -40 °C |
| Physical Description | LiquidColorless hygroscopic liquid[Merck Index] |
| Collision Cross Section | 110.8 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID2044397] |
| 증기 밀도 | 5.2 (vs air) |
| 증기압 | 8 mm Hg ( 25 °C) |
| 굴절률 | n20/D 1.327(lit.) |
| 인화점 | None |
| 저장 조건 | Store below +30°C. |
| 용해도 | H2O에 혼화성 |
| pKa(산도 계수) | -14(at 25℃) |
| 물리적 상태 | 발연 액체 |
| 비중 | 1.696 |
| 색상 | 약간 갈색 |
| pH | <1 (H2O) |
| 용해도 | 녹는 |
| Merck | 14,9676 |
| BRN | 1812100 |
| 안정성 | 안정적인. 산, 알칼리, 금속과 호환되지 않습니다. |
| InChI | 1S/CHF3O3S/c2-1(3,4)8(5,6)7/h(H,5,6,7) |
| InChIKey | ITMCEJHCFYSIIV-UHFFFAOYSA-N |
| SMILES | OS(=O)(=O)C(F)(F)F |
| LogP(분배 계수) | 0.3 at 25℃ |
| NIST | CF3SO3H(1493-13-6) |
| EPA | Methanesulfonic acid, trifluoro- (1493-13-6) |
화학적 성질
트리플루오로메탄술폰산(TfOH)의 밀도는 1.696 g/cm³이다. TfOH는 다양한 유기 화합물을 잘 용해시키며, 많은 극성 유기 용매와 혼합 가능하다. 이는 다른 초산(예: 플루오로설폰산(FSO₃H, H₀ = –15) 또는 불화수소-안티모니플루오라이드(HF–SbF₅, H₀는 최저 –20))과는 다릅니다. TfOH는 물과 가수분해 반응을 일으키지 않으며, 대신 녹는점이 34°C인 일수화물을 형성한다. 이 화합물은 –40°C(녹는점)에서 162°C(끓는점)에 이르는 넓은 온도 범위에서 사용할 수 있다[1].
안전 및 규제
| GHS 분류 | DangerH290 (92.8%): May be corrosive to metals [Warning Corrosive to Metals]P234, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2365 reports by companies from 34 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
|---|---|
| 규제 정보 | Chemical: Methanesulfonic acid, trifluoro-Methanesulfonic acid, 1,1,1-trifluoro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Methanesulfonic acid, 1,1,1-trifluoro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 03-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5311Trifluoromethanesulphonic acid: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | Highly corrosive to skin[Quick CPC] One of the strongest acids known. May cause burns[Merck Index] Oral LD50 (rat) is between 500 and 2,000 mg/kgAn acute dermal toxicity study of rats at 2,000 mg/kg produced extensive and severe local skin effects considered to be life threatening50 mg/kg doses were tolerated and showed no significant adverse effects at necropsyNo evidence of skin sensitization in guinea pigsNo evidence of mutagenicity[EPA TSCA] Causes burnsInhalation of high concentration can cause chemical pneumonitis[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Met. Corr. 1 (92.8%)Serious eye damage/eye irritation - Category 2A-2B |
| Protective Action Criteria (PAC) | 4.8 [mg/m3]53 [mg/m3]320 [mg/m3] |
| 건강 영향 | Silver itself is not toxic to humans, but most silver salts are. In large doses, silver and compounds containing it can be absorbed into the circulatory system and become deposited in various body tissues, leading to argyria, which results in a blue-grayish pigmentation of the skin, eyes, and mucous membranes. Argyria is rare, and although, so far as known, this condition does not otherwise harm a person's health, it is disfiguring and usually permanent. Mild forms of argyria are sometimes mistaken for cyanosis. (L809) |
| 유해 작용 | Dermatotoxin - Skin burns. |
| 노출 경로 | Oral (L808)inhalation (L808)dermal (L808) |
| 독성 요약 | Metallic silver is oxidized and may deposit in the tissues, causing arygria. The silver ion is known to inhibit glutathione peroxidase and NA+,K+-ATPase activity, disrupting selenium-catalyzed sulfhydryl oxidation-reduction reactions and intracellular ion concentrations, respectively. Silver nanoparticles are believed to disrupt the mitochondrial respiratory chain, causing oxidative stress, reduced ATP synthesis, and DNA damage. (L808, A243, A244, A245, A246) |
| Signs and Symptoms | Exposure to high levels of silver for a long period of time may result in a condition called arygria, a blue-gray discoloration of the skin and other body tissues. Argyria is a permanent effect but does not appear to be harmful to health. Exposure to high levels of silver in the air has resulted in breathing problems, lung and throat irritation, and stomach pains. Skin contact with silver can cause mild allergic reactions such as rash, swelling, and inflammation in some people. (L808) |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 3265 8/PG 2 |
| 독성 | LD50 orally in Rabbit: 1605 mg/kg LD50 dermal Rat > 2000 mg/kg |
| 관세 코드 | 29049020 |
| 위험 문구(R) | 21/22-35-10 |
| 위험 표시 | C |
| 안전 문구(S) | 26-36/37/39-45 |
| 포장분류 | II |
| 위험 등급 | 8Acute Tox. 4 OralMet. Corr. 1Skin Corr. 1BSTOT SE 3 |
| 기존화학 물질 | KE-34245 |
| F 고인화성물질 | 3-10 |
| 위험 참고 사항 | Corrosive/Hygroscopic |
| 저장 분류 | 8A - Combustible corrosive hazardous materials |
| 함량 및 규제정보 | 물질구분: 유독물질혼합물(제품)함량정보: 트리플릭산 및 이를 1% 이상 함유한 혼합물 |
| 유해화학물질 필터링 | 97-1-314 |
용도
용도
트리플루오로메탄술폰산은 펩티드 보호기를 제거하고 이성질체화와 중합을 촉매하기 위해 중합체에 대한 용매로 사용된다. 그 에스테르는 우수한 알킬화제이다. 무수물 (F3C-SO2)2O는 무색, 흡습성, 독성 액체이고(끓는점 84℃), 트리플루오로메탄술포닐기(triflate기)를 도입하기 위해 제조 화학에서 사용된다.
용도
A cost-effective process for synthesizing daidzein was developed by Hai Cao and colleagues[1]. A two-step synthesis of daidzein (Friedel–Crafts acylation and [5+1] cyclization) was developed via the employment of trifluoromethanesulfonic acid (TfOH) as an effective promoting reagent. Due to the facilitating effect of TfOH, the Friedel–Crafts acylation was completed within 10 min at 90 °C and the [5+1] cyclization was completed within 180 min at 25 °C.
일반 설명
Trifluoromethanesulfonic acid is a strong organic acid. It can be prepared by reacting bis(trifluoromethylthio)mercury with H2O2. On mixing with HNO3, it affords a nitrating reagent (a nitronium salt). This reagent is useful for the nitration of aromatic compounds. Its dissociation in various organic solvents has been studied.