기본 정보
- 표준 SMILES
O=S(=O)(Cl)C(F)(F)F- InChIKey
GRGCWBWNLSTIEN-UHFFFAOYSA-N- 분자식
- CClF3O2S
- 평균 분자량
- 168.52 g/mol
- 단동위원소 질량
- 167.92596258
이름 및 식별자
- 우선 이름
- Trifluoromethanesulfonyl chloride
- IUPAC
- trifluoromethanesulfonyl chloride
- 영어명
- Trifluoromethanesulfonyl chloride
- 분자식
- CClF3O2S
- 분자량
- 168.52
이름 및 동의어
Trifluoromethanesulfonyl chloride421-83-0Trifluoromethanesulphonyl chlorideCClF3O2SMFCD00007451trifluoro-methanesulfonyl chlorideMethanesulfonyl chloride, trifluoro-trifluoromethylsulphonyl chlorideTriflyl chloridetrifluoromethanesulfonylchloridetriflic chlorideTrifluoromethylsulfonyl Chloride; Trifluoromethylsulfuryl Chloride; Triflyl Chloride
이름 더 보기
Trifluoromathanesulfonyl chlorideTrifluoromethanesulfonic acid chloridePFC-MSCTrifluoromethane chlorideTRIFLUOROMETHANESULFONYLCLORIDETrifluoromethanesufonyl chlorideRIFLUOROMETHANESULFONYL CHLORIDE
EINECS 207-009-0TRIFLUOROMETHYLSULFONYL CHLORIDECF3SO2ClSCHEMBL21681chloro(trifluoromethyl)sulfoneTrifluormethanesulfonylchloridetrifluormethanesulfonyl chloridetrifluorometanesulfonyl chloride
데이터베이스 식별자
- CAS
421-83-0- PubChem CID
- 79000
- DTXSID
DTXSID50194943- EC Number
- 207-009-0
- Nikkaji
- J49C
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 42.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 161
실험 및 물리화학적 성질
Chemical ClassesToxic Gases & Vapors -> Acid Halides
PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
SpringerMaterials PropertiesSchoenflies notation
Vapor Pressure535.6 [mmHg]
Physical DescriptionClear light yellow liquid; Boiling point = 29-32 deg C; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- -26 °C · -26 °C
- 끓는 점
- 29 · 29-32 °C (lit.)
- 밀도
- 1.583 g/mL · 1.583 g/mL at 25 °C (lit.)
- 증기압
- 10.36 psi · 10.36 psi ( 20 °C)
- 굴절률
- 20 · n20/D 1.334(lit.)
- 인화점
- 32 °C · 32°C
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름에 용해됨
- 물리적 상태
- 액체
- 색상
- 무색투명~엷은색
- Specific Gravity
- 1.583 · 1.583
- 수용성
- 물에 노출되면 가수분해됩니다.
- BRN
- 1812016 · 1812016
- InChI
- 1S/CClF3O2S/c2-8(6,7)1(3,4)5
- InChIKey
- GRGCWBWNLSTIEN-UHFFFAOYSA-N
- SMILES
- FC(F)(F)S(Cl)(=O)=O
화학적 성질
Clear colorless to faintly colored liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 57 reports by companies from 5 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Status: Active Update: 05-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30416
Trifluoromethanesulphonyl chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryReacts violently with water; Causes burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Corr. 1B (100%)
독성 정보
Adverse EffectsDermatotoxin - Skin burns.
안전 데이터
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- HS 번호
- 29049090
- risk_code
- 14-34
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- 포장분류
- II
- 위험 등급
- 8
- F 고인화성물질
- 10-21
- 위험 참고 사항
- Corrosive/Lachrymatory
- Hazard Classifications
- Skin Corr. 1B
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
응용 분야
용도Ru(II) complex-catalyzed trifluoromethylating agent for aromatics and alkenes.
상·하류 제품 정보
하류 제품
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