Basic information
- CAS
661-54-1- Standard SMILES
C#CC(F)(F)F- InChIKey
PRDFNJUWGIQQBW-UHFFFAOYSA-N- Molecular formula
- C3HF3
- Average molar mass
- 94.03 g/mol
- Monoisotopic mass
- 94.00303469
Names & identifiers
- Preferred name
- 3,3,3-Trifluoropropyne
- IUPAC
- 3,3,3-trifluoroprop-1-yne
- English name
- 3,3,3-Trifluoropropyne
- Molecular formula
- C3HF3
- Molecular weight
- 94.04
Names & synonyms
3,3,3-Trifluoropropyne661-54-1TRIFLUOROMETHYLACETYLENEEINECS 211-548-7DTXSID302162983,3,3Trifluoro1propyneRefChem:485100DTXCID30138789211-548-73,3,3-trifluoroprop-1-yne(Trifluoromethyl)acetylene3,3,3-Trifluoro-1-propyne
Show more names
CF3CequivCH1H-trifluoropropyneTrifluoromethylethynepropyne,3,3,3-trifluoro-TRIFLUOROMETHYL ACETYLENE3,3,3-Trifluoropropyne97%
1-Propyne, 3,3,3-trifluoro-MFCD00041552C3HF31,1,1-trifluoro-2-propynePropyne, 3,3,3-trifluoro-1,1,1-TrifluoropropyneCF3C.$.CHSCHEMBL124104
Database identifiers
- CAS
661-54-1- PubChem CID
- 69578
- DTXSID
DTXSID30216298- UNII
- 9K5E3M7DM7
- EC Number
- 211-548-7
- Nikkaji
- J102.048J
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 79.9
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Aliphatics, Unsaturated
SpringerMaterials PropertiesDunham energy parameter
Physical DescriptionLiquefied gas; [Alfa Aesar MSDS]
Physicochemical properties
- Boiling point
- -48 · -48--47°C
- Density
- 1.1 · 1.1000 (rough estimate)
- refractive index
- 1.291 · 1.2910 (estimate)
- InChI
- 1S/C3HF3/c1-2-3(4,5)6/h1H
- InChIKey
- PRDFNJUWGIQQBW-UHFFFAOYSA-N
- SMILES
- FC(F)(F)C#C
- CAS DataBase Reference
- 661 · 661-54-1(CAS DataBase Reference)
- UNSPSC Code
- 12142100 · 12142100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS06,GHS04
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazards SummarySee 1,4-Dichloro-2-butyne and 3-Chloro-1-butyne. See Acetylene.
Hazard Classes and CategoriesNot Classified
Toxicology
Adverse EffectsOther Poison - Simple Asphyxiant
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3161 2.1
- hs_code
- 2903393990
- risk_code
- 11
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06,GHS04
- hazard_code
- F
- hazard_note
- Flammable
- safety_code
- 9-16-23-33
- hazard_class
- GAS, FLAMMABLE
- Storage Class
- 2A - Gases
- Hazard statements
- H225-H315-H319-H331-H335-EUH044
- Precautionary statements
- P210-P280
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers31 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Changzhou Carman Chemical Co., Ltd.15061933924
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
上海尚饮思生化医药有限公司021-021-57872719 13761402923 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
湖北军瑞生物科技有限公司13971166412 · [email protected]
Related reactions
9 records
Compound notes
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