기본 정보
- 표준 SMILES
COS(=O)(=O)C(F)(F)F- InChIKey
OIRDBPQYVWXNSJ-UHFFFAOYSA-N- 분자식
- C2H3F3O3S
- 평균 분자량
- 164.11 g/mol
- 단동위원소 질량
- 163.97549962
개요
Methyl trifluoromethane sulfonate is a brown liquid. Insoluble in water. (NTP, 1992) This material is a very reactive methylating agent, also known as methyl triflate.
이름 및 식별자
- 우선 이름
- Methyl triflate
- IUPAC
- methyl trifluoromethanesulfonate
- 영어명
- Methyl trifluoromethanesulfonate
- 분자식
- C2H3F3O3S
- 분자량
- 164.1
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
333-27-7- PubChem CID
- 9526
- DTXSID
DTXSID6049272- ChEMBL
CHEMBL3185488- UNII
- 7B25Z22EPV
- EC Number
- 206-371-7
- Nikkaji
- J193.765K
물성
구조 계산 물성
- XLogP
- 0.9
- 극성 표면적
- 51.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 172
실험 및 물리화학적 성질
Density
1.45 at 68 °F (NTP, 1992) - Denser than water; will sink
1.45 @25 °C
Physical Description
Methyl trifluoromethane sulfonate is a brown liquid. Insoluble in water. (NTP, 1992) This material is a very reactive methylating agent, also known as methyl triflate.
Brown liquid; [CAMEO] Clear light yellow liquid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 끓는 점
- 94 · 94-99 °C(lit.)
- 밀도
- 1.45 g/mL · 1.45 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.326(lit.)
- 인화점
- 101 °F · 101 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름(적게), 에틸아세테이트(약간)에 용해됨
- 물리적 상태
- 액체
- Specific Gravity
- 1.45 · 1.450
- 색상
- 무색~황색으로 투명함
- BRN
- 774772 · 774772
- 안정성
- 흡습성, 수분 민감성, 휘발성
- InChI
- InChI=1S/C2H3F3O3S/c1-8-9(6,7)2(3,4)5/h1H3
- InChIKey
- OIRDBPQYVWXNSJ-UHFFFAOYSA-N
- SMILES
- C(F)(F)(F)S(OC)(=O)=O
- EPA
- Methyl trifluoromethanesulfonate (333-27-7)
화학적 성질
clear colourless to yellow liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 62 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Methanesulfonic acid, trifluoro-, methyl ester
Methyl trifluoromethanesulphonate: Does not have an individual approval but may be used under an appropriate group standard
Reactivity Profile
METHYL TRIFLUOROMETHANE SULFONATE is sensitive to heat. (NTP, 1992). Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.
안전 및 보호
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Protective Action Criteria (PAC)
22 [mg/m3]
240 [mg/m3]
1400 [mg/m3]
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: When working with this chemical, wear a NIOSH-approved full face chemical cartridge respirator equipped with the appropriate organic vapor cartridges. If that is not available, a half face respirator similarly equipped plus airtight goggles can be substituted. However, please note that half face respirators provide a substantially lower level of protection than do full face respirators. (NTP, 1992)
독성 정보
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2920 8/PG 2
- HS 번호
- 29049020
- risk_code
- 10-34-20/21/22
- hazard_code
- C,T
- safety_code
- 26-36/37/39-45-16
- 포장분류
- III
- 위험 등급
- 3.2
- F 고인화성물질
- 10
- 위험 참고 사항
- Highly Toxic/Corrosive
- Hazard Classifications
- Acute Tox. 1 InhalationAcute Tox. 3 DermalAcute Tox. 3 OralEye Dam. 1Flam. Liq. 3Skin Corr. 1B
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
응용 분야
용도Methyl trifluoromethanesulfonate is used as a powerful methylating reagent in chemistry. Further, it is used in the conversion of amines to methyl ammonium triflates. In addition, it is also used in Suzuki reaction.
일반 설명Methyl trifluoromethane sulfonate is a brown liquid. Insoluble in water. (NTP, 1992) This material is a very reactive methylating agent, also known as methyl triflate.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
관련 반응
연결된 노트
불러오는 중…