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| CAS No.: | 471-25-0 |
|---|---|
| Name: | Propiolic acid |
| Article Data: | 54 |
| Molecular Structure: | |
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|
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| Formula: | C3H2O2 |
| Molecular Weight: | 70.0477 |
| Synonyms: | Propiolicacid (6CI,8CI);2-Propyne-1-carboxylic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylic acid;Carboxyacetylene;NSC 16152;Propargylic acid; |
| EINECS: | 207-437-8 |
| Density: | 1.241 g/cm3 |
| Melting Point: | 16-18 °C(lit.) |
| Boiling Point: | 139.7 °C at 760 mmHg |
| Flash Point: | 58.9 °C |
| Solubility: | miscible with water |
| Appearance: | viscous yellow liquid |
| Hazard Symbols: |
 T
|
| Risk Codes: | 24/25-34-25-23/24/25 |
| Safety: | 26-36/37/39-45-24/25-7/9 |
| Transport Information: | UN 2920 8/PG 2 |
| PSA: | 37.30000 |
| LogP: | -0.29580 |
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| Conditions | Yield |
|---|---|
| Stage #1: Propargylamine With sodium nitrate at 30 - 45℃; for 3.33h; Stage #2: With diethyleneglycol diacetate; antimonypentachloride at 56℃; for 0.833333h; Temperature; | 94% |
| Conditions | Yield |
|---|---|
| With tert.-butylhydroperoxide; copper(l) chloride In decane; acetonitrile at 20℃; for 5h; | 93% |
| With sodium hydroxide; sodium hypochlorite; TEMPOL In water; ethyl acetate at 15 - 20℃; pH=8.5; Aqueous phophate buffer; | 92% |
| With sodium hydroxide; sodium hypochlorite; disodium hydrogenphosphate; phosphoric acid; TEMPOL In water at 5 - 10℃; pH=7 - 10; Aqueous phophate buffer; | 83% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide; sodium hypochlorite; sulfuric acid; TEMPOL In water at 5 - 10℃; pH=8 - 10; | A 0.9% B 83% |
| With sodium hydroxide; sodium hypochlorite; sulfuric acid; TEMPOL; tetra(n-butyl)ammonium hydrogensulfate In dichloromethane; water at 5 - 10℃; pH=8 - 10; | A 1.3% B 46% |
| Conditions | Yield |
|---|---|
| With water at 140℃; |
| Conditions | Yield |
|---|---|
| With water at 140℃; |
- 1066-26-8
sodium acetylide
- 15719-64-9, 15719-76-3, 97762-63-5
methylammonium carbonate
- 471-25-0
Propiolic acid
| Conditions | Yield |
|---|---|
| With carbon dioxide under 38000 - 45600 Torr; |
| Conditions | Yield |
|---|---|
| With carbon dioxide | |
| With diethyl ether; carbon dioxide |
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- 7782-92-5Sodium amide
- 137863-89-9L-Valine,N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-, methyl ester
- 53-41-8Androstan-17-one,3-hydroxy-, (3a,5a)-
- 12167-74-7Calcium phosphate, tribasic
- 105-05-51,4-Diethylbenzene
- 119-75-5Benzenamine,2-nitro-N-phenyl-
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
- Total:26 Page 1 of 1 1
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Specification
The Propiolic acid with CAS registry number of 471-25-0 is also known as 2-Propynoic acid. The IUPAC name is Prop-2-ynoic acid. It belongs to product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Acetylenes; Acetylenic Carboxylic Acids & Their Derivatives; Diyne Compounds (LB Films); Functional Materials; LB Films. Its EINECS registry number is 207-437-8. In addition, the formula is C3H2O2 and the molecular weight is 70.05. This chemical is a colorless liquid and slightly soluble in water. What's more, this chemical should be sealed in ventilated and dry place away from oxidants at the temperature of 2-8 °C.
Physical properties about Propiolic acid are: (1)ACD/LogP: 0.296; (2)ACD/LogD (pH 5.5): -3.01; (3)ACD/LogD (pH 7.4): -3.45; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 1.00; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Index of Refraction: 1.456; (11)Molar Refractivity: 15.34 cm3; (12)Molar Volume: 56.446 cm3; (13)Polarizability: 6.081 10-24cm3; (14)Surface Tension: 52.9939994812012 dyne/cm; (15)Density: 1.241 g/cm3; (16)Flash Point: 58.889 °C; (17)Enthalpy of Vaporization: 41.587 kJ/mol; (18)Boiling Point: 139.725 °C at 760 mmHg; (19)Vapour Pressure: 3.65499997138977 mmHg at 25°C
Preparation of Propiolic acid: it is prepared by reaction of acetylene sodium with carbon dioxide. The reaction occurs at the temperature below 90 °C and the pressure 3.55-7.09 MPa.
Uses of Propiolic acid: it is used for organic synthesis. For example, it is used to produce 3c-phenylselanyl-acrylic acid by reaction with benzeneselenol. The reaction occurs with reagent NaOMe and solvent ethanol at the temperature of 60 °C for 2 hours. The yield is about 80.3%.
When you are using this chemical, please be cautious about it. As a chemical, it is toxic by inhalation, in contact with skin and if swallowed. Besides, it may cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. Avoid contact with skin and eyes. After using it, keep container tightly closed and in a well-ventilated place. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C#CC(=O)O
2. InChI: InChI=1S/C3H2O2/c1-2-3(4)5/h1H,(H,4,5)
3. InChIKey: UORVCLMRJXCDCP-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | skin | 100mg/kg (100mg/kg) | "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4953, 1982. | |
| mouse | LD50 | intraperitoneal | 25mg/kg (25mg/kg) | "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4953, 1982. | |
| mouse | LD50 | oral | 100mg/kg (100mg/kg) | "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4953, 1982. | |
| rat | LD50 | intraperitoneal | 25mg/kg (25mg/kg) | "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4953, 1982. | |
| rat | LD50 | oral | 100mg/kg (100mg/kg) | "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4953, 1982. |