Basic information
- CAS
421-83-0- Standard SMILES
O=S(=O)(Cl)C(F)(F)F- InChIKey
GRGCWBWNLSTIEN-UHFFFAOYSA-N- Molecular formula
- CClF3O2S
- Average molar mass
- 168.52 g/mol
- Monoisotopic mass
- 167.92596258
Names & identifiers
- Preferred name
- Trifluoromethanesulfonyl chloride
- IUPAC
- trifluoromethanesulfonyl chloride
- English name
- Trifluoromethanesulfonyl chloride
- Molecular formula
- CClF3O2S
- Molecular weight
- 168.52
Names & synonyms
Trifluoromethanesulfonyl chloride421-83-0Trifluoromethanesulphonyl chlorideCClF3O2SMFCD00007451trifluoro-methanesulfonyl chlorideMethanesulfonyl chloride, trifluoro-trifluoromethylsulphonyl chlorideTriflyl chloridetrifluoromethanesulfonylchloridetriflic chlorideTrifluoromethylsulfonyl Chloride; Trifluoromethylsulfuryl Chloride; Triflyl Chloride
Show more names
Trifluoromathanesulfonyl chlorideTrifluoromethanesulfonic acid chloridePFC-MSCTrifluoromethane chlorideTRIFLUOROMETHANESULFONYLCLORIDETrifluoromethanesufonyl chlorideRIFLUOROMETHANESULFONYL CHLORIDE
EINECS 207-009-0TRIFLUOROMETHYLSULFONYL CHLORIDECF3SO2ClSCHEMBL21681chloro(trifluoromethyl)sulfoneTrifluormethanesulfonylchloridetrifluormethanesulfonyl chloridetrifluorometanesulfonyl chloride
Database identifiers
- CAS
421-83-0- PubChem CID
- 79000
- DTXSID
DTXSID50194943- EC Number
- 207-009-0
- Nikkaji
- J49C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 161
Experimental & physicochemical properties
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]
Physicochemical properties
- Melting point
- -26 °C · -26 °C
- Boiling point
- 29 · 29-32 °C (lit.)
- Density
- 1.583 g/mL · 1.583 g/mL at 25 °C (lit.)
- vapor pressure
- 10.36 psi · 10.36 psi ( 20 °C)
- refractive index
- 20 · n20/D 1.334(lit.)
- Flash point
- 32 °C · 32°C
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform
- form
- Liquid
- color
- Clear colorless to faintly colored
- Specific Gravity
- 1.583 · 1.583
- Water Solubility
- Hydrolyzes with water.
- Sensitive
- Lachrymatory
- 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
- CAS DataBase Reference
- 421 · 421-83-0(CAS DataBase Reference)
- UNSPSC Code
- 12352101 · 12352101
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
- PPE
- Faceshields, Gloves, Goggles
- Hazard Codes
- C
- Risk Statements
- 14 · 14-34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3265 · UN 3265 8/PG 2
- WGK Germany
- 3 · 3
- F
- 10 · 10-21
- Hazard Note
- Corrosive/Lachrymatory
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 29049090 · 29049090
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 B · Skin Corr. 1B
- REACH Registrations
- Active
Safety & regulation
GHS classification
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.
Hazard information
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%)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- F
- 10-21
- PPE
- Faceshields, Gloves, Goggles
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29049090
- risk_code
- 14-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive/Lachrymatory
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- Hazard statements
- H314
- REACH Registrations
- Active
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
Chemistry & industry
Applications
UsesRu(II) complex-catalyzed trifluoromethylating agent for aromatics and alkenes.
Upstream & downstream products
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
武汉科美沃化工有限公司+86-2785736489 +8618171418573 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
天津中信凯泰化工有限公司022-66880623 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
江西国化医药科技有限公司0794-7183888 13155888520
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
武汉科美沃化工有限公司027-85736489 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
上海楚青新材料科技有限公司021-61530618; 18721685818
上氟科技021-65170832 15601903708
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
济南朗化化工有限公司0531-85906691 18660816586 · [email protected]
北京欣赛维化学科技有限公司010-56218822 13717722232 · [email protected]
上海凯赛化工有限公司021-33516722 13701817765 · [email protected]
上海兴鲁化工科技有限公司02120970332 · [email protected]
北京华扬致成科技有限公司13716033033 · [email protected]
上海容立化学科技有限公司021-69992220 13701886816 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
郑州科豫隆化工产品有限公司17319789407 17319789407 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Related reactions
264 records
Compound notes
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