기본 정보
- 표준 SMILES
O=S(=O)(O)C(F)(F)F- InChIKey
ITMCEJHCFYSIIV-UHFFFAOYSA-N- 분자식
- CHF3O3S
- 평균 분자량
- 150.08 g/mol
개요
Triflic acid is a one-carbon compound that is methanesulfonic acid in which the hydrogens attached to the methyl carbon have been replaced by fluorines. It is a perfluoroalkanesulfonic acid and a one-carbon compound. It is a conjugate acid of a triflate.
이름 및 식별자
- 우선 이름
- Trifluoromethanesulfonic acid
- IUPAC
- trifluoromethanesulfonic acid
- 현지명
- 트리플루오로메탄술폰산
- 영어명
- Trifluoromethanesulfonic acid
- 분자식
- CHF3O3S
- 분자량
- 150.08
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1493-13-6- PubChem CID
- 62406
- DTXSID
DTXSID2044397- ChEMBL
CHEMBL1236265- ChEBI
CHEBI:48511- UNII
- JE2SY203E8
- EC Number
- 216-087-5
- Nikkaji
- J12.301C
물성
구조 계산 물성
- XLogP
- 0.3
- 극성 표면적
- 62.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 158
실험 및 물리화학적 성질
Chemical Classes
Other Classes -> Organic Acids
Ionic Liquids -> Fluorinated Ionic Liquids
Ionic Liquids
PFAS
PFAS -> Perfluorosulfonic acids
PFAS -> Ultra Short Chain PFsulfonic acids
PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
PFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds
PFAS -> PFAS with analytical method available
Physical Description
Liquid
Colorless hygroscopic liquid; [Merck Index]
물리화학적 성질
- 녹는점
- -40 °C · -40 °C
- 끓는 점
- 162 °C · 162 °C (lit.)
- 밀도
- 1.696 g/mL · 1.696 g/mL at 25 °C (lit.)
- 증기 밀도
- 5.2 · 5.2 (vs air)
- 증기압
- 8 mm · 8 mm Hg ( 25 °C)
- 굴절률
- 20 · n20/D 1.327(lit.)
- 인화점
- None
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 2 O에 · H2O에 혼화성
- 산도 계수 (pKa)
- -14 · -14(at 25℃)
- 물리적 상태
- 발연 액체
- Specific Gravity
- 1.696 · 1.696
- 색상
- 약간 갈색
- 수소이온지수(pH)
- 1 · <1 (H2O)
- 수용성
- 녹는
- Merck
- 14 · 14,9676
- BRN
- 1812100 · 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
- 0.3 at · 0.3 at 25℃
- NIST
- 3 SO3H · 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
GHS Classification
Danger
H290 (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.
Warning
H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]
유해성 정보
Regulatory Information
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/5311
Trifluoromethanesulphonic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
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/kg; An acute dermal toxicity study of rats at 2,000 mg/kg produced extensive and severe local skin effects considered to be life threatening; 50 mg/kg doses were tolerated and showed no significant adverse effects at necropsy; No evidence of skin sensitization in guinea pigs; No evidence of mutagenicity; [EPA TSCA] Causes burns; Inhalation 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
안전 및 보호
Protective Action Criteria (PAC)
4.8 [mg/m3]
53 [mg/m3]
320 [mg/m3]
독성 정보
Health Effects
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)
Toxicity Summary
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)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 2
- 독성
- LD50 orally in Rabbit: 1605 mg/kg LD50 dermal Rat > 2000 mg/kg
- HS 번호
- 29049020
- risk_code
- 21/22-35-10
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- 포장분류
- II
- 위험 등급
- 8
- 기존화학 물질
- KE-34245
- F 고인화성물질
- 3-10
- 위험 참고 사항
- Corrosive/Hygroscopic
- Hazard Classifications
- Acute Tox. 4 OralMet. Corr. 1Skin Corr. 1BSTOT SE 3
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
- 함량 및 규제정보
- 물질구분: 유독물질; 혼합물(제품)함량정보: 트리플릭산 및 이를 1% 이상 함유한 혼합물
- 유해화학물질 필터링
- 97-1-314
화학 및 산업
약리 정보
Metabolism/Metabolites
Silver and its compounds can be absorbed via inhalation, while silver compounds can also be absorbed orally and dermally. It distributes throughout the body in the blood, particularily to the liver. Insoluble silver salts are transformed into soluble silver sulfide albuminates, bind to amino or carboxyl groups in RNA, DNA, and proteins, or are reduced to metallic silver by ascorbic acid or catecholamines. Metallic silver is oxidized and may deposit in the tissues, causing arygria. Silver is eliminated primarily in the faeces. (L808)
용도 및 제조
Uses
Used as a catalyst, solvent for ESR, acid titrant, and with trifluoroacetic acid in peptide synthesis; [Merck Index]
Silver trifluoromethanesulfonate is used in inorganic and organometallic chemistry to replace halide anions or ligands. (L833)
General Manufacturing Information
Not Known or Reasonably Ascertainable
Methanesulfonic acid, 1,1,1-trifluoro-: ACTIVE
응용 분야
용도트리플루오로메탄술폰산은 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.
용도A 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 설명Trifluoromethanesulfonic 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.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
추가 설명
정의ChEBI: Trifluoromethanesulfonic acid is a one-carbon compound that is methanesulfonic acid in which the hydrogens attached to the methyl carbon have been replaced by fluorines. It is a one-carbon compound and a perfluoroalkanesulfonic acid. It is a conjugate acid of a triflate.
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