HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 69578Generated: November 3, 2026
3,3,3-Trifluoropropyne
CF3CequivCH · 1H-trifluoropropyne · Trifluoromethylethyne · 1,1,1-Trifluoropropyne · 3,3,3-Trifluoropropyne · propyne,3,3,3-trifluoro- · TRIFLUOROMETHYL ACETYLENE · 1,1,1-trifluoro-2-propyne
https://huagongshe.com/en/chemical/69578
Identifiers & Physical Properties
| CAS No. | 661-54-1 |
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| Molecular formula | C3HF3 |
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| Average molar mass | 94.03 g/mol |
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| Monoisotopic mass | 94.00303469 g/mol |
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| SMILES | C#CC(F)(F)F |
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| InChIKey | PRDFNJUWGIQQBW-UHFFFAOYSA-N |
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| PubChem CID | 69578 |
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| EC No. | 211-548-7 |
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| DTXSID | DTXSID30216298 |
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Chemical & Physical Properties
| XLogP | 1.4 |
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| Topological polar surface area | 0 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 0 |
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| Heavy atoms | 6 |
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| Formal charge | 0 |
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| Complexity | 79.9 |
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| Chemical classes | Other Classes -> Halogenated Aliphatics, Unsaturated |
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| SpringerMaterials Properties | Dunham energy parameter |
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| Physical Description | Liquefied gas[Alfa Aesar MSDS] |
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| Boiling point | -48--47°C |
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| Density | 1.1000 (rough estimate) |
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| Refractive index | 1.2910 (estimate) |
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| InChI | 1S/C3HF3/c1-2-3(4,5)6/h1H |
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| InChIKey | PRDFNJUWGIQQBW-UHFFFAOYSA-N |
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| SMILES | FC(F)(F)C#C |
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| CAS DataBase Reference | 661-54-1(CAS DataBase Reference) |
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| UNSPSC Code | 12142100 |
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| NACRES | NA.22 |
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| GHS pictogram | GHS02,GHS06,GHS04 |
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| Signal word | Danger |
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| GHS hazard statements | H225-H315-H319-H331-H335-EUH044 |
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| GHS precautionary statements | P210-P280 |
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| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
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| Hazard symbols | F |
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| Risk statements (R) | 11 |
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| Safety statements (S) | 9-16-23-33 |
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| UN transport number | UN 3161 2.1 |
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| Water hazard class (WGK) | 3 |
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| Hazard Note | Flammable |
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| Hazard class | GAS, FLAMMABLE |
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| Customs code | 2903393990 |
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| Storage class | 2A - Gases |
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Safety & Regulations
| GHS classification | Not Classified |
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| Hazards summary | See 1,4-Dichloro-2-butyne and 3-Chloro-1-butyne. See Acetylene. |
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| Hazard Classes and Categories | Not Classified |
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| Adverse effects | Other Poison - Simple Asphyxiant |
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| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
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| Water hazard class (WGK) | 3 |
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| UN transport number | UN 3161 2.1 |
|---|
| Customs code | 2903393990 |
|---|
| Risk statements (R) | 11 |
|---|
| Signal word | Danger |
|---|
| GHS pictogram | GHS02,GHS06,GHS04 |
|---|
| Hazard symbols | F |
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| hazard_note | Flammable |
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| Safety statements (S) | 9-16-23-33 |
|---|
| Hazard class | GAS, FLAMMABLE |
|---|
| Storage class | 2A - Gases |
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| GHS hazard statements | H225-H315-H319-H331-H335-EUH044 |
|---|
| GHS precautionary statements | P210-P280 |
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