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| CAS No.: | 479-92-5 |
|---|---|
| Name: | Propyphenazone |
| Molecular Structure: | |
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| Formula: | C14H18N2O |
| Molecular Weight: | 230.31 |
| Synonyms: | Antipyrine,4-isopropyl- (6CI,7CI,8CI);1,2-Dihydro-1,5-dimethyl-2-phenyl-4-isopropyl-3H-pyrazol-3-one;1-Phenyl-2,3-dimethyl-4-isopropyl-3-pyrazolin-5-one;1-Phenyl-2,3-dimethyl-4-isopropylpyrazol-5-one;4-Isopropyl-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one;4-Isopropylantipyrine;4-Isopropylphenazone;Arantil P;Budirol;Causyth;Cibalgina;Eufibron;Isopropchin;Isopropylantipyrin;Isopropylantipyrine;Isopropylphenazone;Isopropyrine;Larodon; |
| EINECS: | 207-539-2 |
| Density: | 1.081 g/cm3 |
| Melting Point: | 102-105 °C |
| Boiling Point: | 319 °C at 760 mmHg |
| Flash Point: | 123.8 °C |
| Solubility: | 743.6g/L(25.35 oC) |
| Appearance: | solid |
| Hazard Symbols: | Xn |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 26.93000 |
| LogP: | 2.60780 |
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
The 4-Isopropylantipyrine is an organic compound with the formula C14H18N2O. The IUPAC name of this chemical is 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one. With the CAS registry number 479-92-5, it is also named as 1,2-Dihydro-1,5-dimethyl-4-(1-methylethyl)-2-phenyl-3H-pyrazol-3-one. The product's categories are Active Pharmaceutical Ingredients; API's. Besides, it should be stored in a cool closed and well-ventilated place.
Physical properties about 4-Isopropylantipyrine are: (1)ACD/LogP: 1.74; (2)ACD/LogD (pH 5.5): 1.74; (3)ACD/LogD (pH 7.4): 1.74; (4)ACD/BCF (pH 5.5): 12.31; (5)ACD/BCF (pH 7.4): 12.31; (6)ACD/KOC (pH 5.5): 209.95; (7)ACD/KOC (pH 7.4): 209.96; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 23.55 Å2; (11)Index of Refraction: 1.555; (12)Molar Refractivity: 68.41 cm3; (13)Molar Volume: 212.8 cm3; (14)Polarizability: 27.12×10-24cm3; (15)Surface Tension: 38.5 dyne/cm; (16)Density: 1.081 g/cm3; (17)Flash Point: 123.8 °C; (18)Enthalpy of Vaporization: 56.06 kJ/mol; (19)Boiling Point: 319 °C at 760 mmHg; (20)Vapour Pressure: 0.000347 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2\C(=C(/N(N2c1ccccc1)C)C)C(C)C
(2)InChI: InChI=1/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3
(3)InChIKey: PXWLVJLKJGVOKE-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3
(5)Std. InChIKey: PXWLVJLKJGVOKE-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LDLo | oral | 150mg/kg (150mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Journal of Pharmacology and Experimental Therapeutics. Vol. 61, Pg. 205, 1937. |
| guinea pig | LD50 | oral | 1050mg/kg (1050mg/kg) | Schweizerische Medizinische Wochenschrift. Vol. 84, Pg. 351, 1954. | |
| mouse | LD50 | intraperitoneal | 295mg/kg (295mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 122, Pg. 434, 1959. | |
| mouse | LD50 | oral | 960mg/kg (960mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 9, Pg. 401, 1959. | |
| rabbit | LDLo | oral | 500mg/kg (500mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Journal of Pharmacology and Experimental Therapeutics. Vol. 61, Pg. 205, 1937. |
| rat | LD50 | oral | 860mg/kg (860mg/kg) | Yakugaku Zasshi. Journal of Pharmacy. Vol. 97, Pg. 601, 1977. |