Basic information
- CAS
353-85-5- Standard SMILES
N#CC(F)(F)F- InChIKey
SFFUEHODRAXXIA-UHFFFAOYSA-N- Molecular formula
- C2F3N
- Average molar mass
- 95.02 g/mol
- Monoisotopic mass
- 94.99828349
Names & identifiers
- Preferred name
- Trifluoroacetonitrile
- IUPAC
- 2,2,2-trifluoroacetonitrile
- English name
- Trifluoroacetonitrile
- Molecular formula
- C2F3N
- Molecular weight
- 95.02
Names & synonyms
TrifluoroacetonitrileCyanotrifluoromethaneAcetonitrile, trifluoro-Acetonitrile, 2,2,2-trifluoro-CF3CNEINECS 206-542-6DTXSID1059862Acetonitrile, trifluoroRefChem:191578Acetonitrile, 2,2,2trifluoroDTXCID8038988206-542-6
Show more names
TIFLUOROACETONITRILEperfluoroacetonitriletrifluoro-acetonitrilTrifluoromethyl cyanideacetonitrile,trifluoro-Trifluoroacetonitrile99%
SFFUEHODRAXXIA-UHFFFAOYSA-N353-85-52,2,2-trifluoroacetonitrileC2F3NMFCD00039478trifluoroethanenitriletrifluoroaceto-nitrileTrifluoroacetonitrile, 99%
Database identifiers
- CAS
353-85-5- PubChem CID
- 67710
- DTXSID
DTXSID1059862- EC Number
- 206-542-6
- Nikkaji
- J102.044G
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 82
Experimental & physicochemical properties
Physical DescriptionLiquefied gas; [MSDSonline]
Kovats Retention Index246
Physicochemical properties
- Melting point
- -144.42 °C · -144.42°C
- Boiling point
- -64 °C · -64 °C
- Density
- 1.332 · 1.332±0.06 g/cm3(Predicted)
- Specific Heat Capacity
- 0.82 J/ · Cp(gas): 0.82 J/(g·K), at 25℃
- CAS DataBase Reference
- 353 · 353-85-5(CAS DataBase Reference)
- NIST Chemistry Reference
- Acetonitrile, trifluoro-(353-85-5)
- EPA Substance Registry System
- Acetonitrile, trifluoro- (353-85-5)
- Symbol(GHS)
- 4 · GHS04,GHS06
- Signal word
- Danger
- Hazard statements
- 280 · H280-H330
- Precautionary statements
- 260 · P260-P284-P310-P410+P403
- Hazard Codes
- T+,T
- Risk Statements
- 26 · 26
- Safety Statements
- 38 · 38
- RIDADR
- 1955 · UN 1955 2.3
- WGK Germany
- 3 · 3
- Hazard Note
- Toxic
- TSCA
- TSCA listed
- HazardClass
- GAS, TOXIC
Safety & regulation
GHS classification
GHS Classification
Danger
H280 (100%): Contains gas under pressure; may explode if heated [Warning Gases under pressure]；H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation]
P260, P271, P284, P304+P340, P316, P320, P403+P233, P405, P410+P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazards SummaryIn confined space spill, may displace air and act as simple asphyxiant; Evaporating liquid can cause frostbite; May cause irritation; Highly toxic by inhalation; [MSDSonline] See NITRILES.
Hazard Classes and CategoriesPress. Gas (Comp.) (100%)；Acute Tox. 2 (100%)
Toxicology
Adverse EffectsOther Poison - Chemical Asphyxiant
Safety data
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1955 2.3
- risk_code
- 26
- Signal word
- Danger
- Symbol(GHS)
- GHS04,GHS06
- hazard_code
- T+,T
- hazard_note
- Toxic
- safety_code
- 38
- hazard_class
- GAS, TOXIC
- Hazard statements
- H280-H330
- Precautionary statements
- P260-P284-P310-P410+P403
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetonitrile, 2,2,2-trifluoro-: INACTIVE
Applications
UsesTrifluoroacetonitrile (CF3CN) is an important chemical intermediate. It is used in the preparation of other organofluorine derivatives and as a substitute for electrical insulation, working fluids and biomedical applications.
Preparation methods
PreparationTrifluoroacetonitrile is prepared by dehydration reaction using trifluoroacetamide as raw material and polyphosphoric acid as solvent under the effect of phosphorus pentoxide dehydrating agent.
Upstream & downstream products
Downstream products
Suppliers29 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
Yangzhou Model Electronic Materials Co., Ltd.+8613761402923 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
Chongqing jooe co., ltd+86-15223382610 · [email protected]
南京艾比克斯生化科技有限公司025-87193546 18652950785 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
上海炎泽化工有限公司19901447308 19962611955 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
海蔚化学86-21-51086038 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
重庆博涛生物科技有限公司15223382610 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
Mainchem Co., Ltd.+86-86-05926210733 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
广州安纳医药科技有限公司020-86211473 13925088720 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
山东彬睿特新材料有限公司0533-2866658 15615638350 · [email protected]
Henan Fengda Chemical Co., Ltd+86-371-86557731 +86-13613820652 · [email protected]
扬州摩笛尔电子材料有限公司13918702962 13761402923 · [email protected]
Related reactions
20 records
Compound notes
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