Propyne
Propyne structure
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Common Name | Propyne | ||
|---|---|---|---|---|
| CAS Number | 74-99-7 | Molecular Weight | 40.06390 | |
| Density | 0.648 g/cm3 | Boiling Point | −23.2 °C(lit.) | |
| Molecular Formula | C3H4 | Melting Point | −102.7 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | -51 °C | |
| Symbol |
GHS02, GHS04, GHS07 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | propyne |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 0.648 g/cm3 |
|---|---|
| Boiling Point | −23.2 °C(lit.) |
| Melting Point | −102.7 °C(lit.) |
| Molecular Formula | C3H4 |
| Molecular Weight | 40.06390 |
| Flash Point | -51 °C |
| Exact Mass | 40.03130 |
| LogP | 0.63950 |
| Appearance of Characters | gas |
| Vapour Pressure | 204.6 mm Hg ( −49.5 °C) |
| Index of Refraction | 1.363 |
| InChIKey | MWWATHDPGQKSAR-UHFFFAOYSA-N |
| SMILES | C#CC |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
MUTATION DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS02, GHS04, GHS07 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H220-H280-H335 |
| Precautionary Statements | P210-P304 + P340 + P312-P377-P381-P410 + P403 |
| Personal Protective Equipment | Eyeshields;Faceshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US) |
| Hazard Codes | F:Flammable;Xi:Irritant; |
| Risk Phrases | R11;R37 |
| Safety Phrases | S16-S36-S38 |
| RIDADR | UN 1954 2.1 |
| WGK Germany | - |
| RTECS | UK4250000 |
| Hazard Class | 2.1 |
| HS Code | 2901299090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
CAS#:590-14-7
CAS#:115-11-7
CAS#:123-38-6
CAS#:67-64-1
CAS#:124-38-9
CAS#:78-75-1
CAS#:616-02-4
CAS#:1066-26-8
CAS#:77-78-1
CAS#:2170-03-8
CAS#:10486-71-2
CAS#:106756-97-2
CAS#:13752-78-8
CAS#:1001-56-5
CAS#:557-98-2
CAS#:594-20-7
CAS#:2983-78-0
CAS#:2983-77-9
CAS#:598-53-8
CAS#:557-17-5This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2901299090 |
|---|---|
| Summary | 2901299090 unsaturated acyclic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Synthesis and structure-activity relationship studies of 1,3-diarylprop-2-yn-1-ones: dual inhibitors of cyclooxygenases and lipoxygenases.
J. Med. Chem. 49 , 1668-83, (2006) A group of 1,3-diarylprop-2-yn-1-ones (13, 17, 23, 26 and 27) possessing a C-3 p-SO2Me COX-2 pharmacophore were designed, synthesized and evaluated as potential dual inhibitors of cyclooxygenase-1/2 (... |
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Synthesis and biological evaluation of 1,3-diphenylprop-2-yn-1-ones as dual inhibitors of cyclooxygenases and lipoxygenases.
Bioorg. Med. Chem. Lett. 15 , 4842-5, (2005) A new class of 1,3-diphenylprop-2-yn-1-ones possessing a p-MeSO2 COX-2 phamacophore on the C-3 phenyl ring was designed for evaluation as dual inhibitors of cyclooxygenase (COX) and lipoxygenase (LOX)... |
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Indene formation under single-collision conditions from the reaction of phenyl radicals with allene and methylacetylene--a crossed molecular beam and ab initio study.
Chem. Asian J. 6(11) , 3035-47, (2011) Polycyclic aromatic hydrocarbons (PAHs) are regarded as key intermediates in the molecular growth process that forms soot from incomplete fossil fuel combustion. Although heavily researched, the react... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| prop-1-yne |
| EINECS 200-828-4 |
| Propyne |
| Propine |
| CH3CequivCH |
| ALLYLENE |
| Methylacetylene |
| MFCD00036235 |
| 1-PROPYNE |
| propargyl acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of propyne? |
| A: InChIKey of propyne is MWWATHDPGQKSAR-UHFFFAOYSA-N. |
| Q: What are the downstream products of propyne? |
| A: Related downstream products(CAS) of propyne: 10486-71-2;106756-97-2;13752-78-8;1001-56-5;557-98-2;594-20-7;2983-78-0;2983-77-9;598-53-8;557-17-5. |
| Q: What is the LogP of propyne? |
| A: LogP of propyne is 0.63950. |
| Q: What is the molecular formula of propyne? |
| A: Molecular formula of propyne is C3H4. |
| Q: What is the CAS number of propyne? |
| A: CAS number of propyne is 74-99-7. |
| Q: What is the physical appearance of propyne? |
| A: propyne appears as gas. |
| Q: What is the SMILES notation of propyne? |
| A: SMILES notation of propyne is C#CC. |
| Q: What is the safety information for propyne? |
| A: Safety information for propyne: S16-S36-S38. |
| Q: What is the boiling point of propyne? |
| A: Boiling point of propyne is −23.2 °C(lit.). |
| Q: What is the melting point of propyne? |
| A: Melting point of propyne is −102.7 °C(lit.). |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Henan Tianfu Chemical Co., Ltd. |