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| CAS No.: | 60-80-0 |
|---|---|
| Name: | Antipyrine |
| Molecular Structure: | |
|
|
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| Formula: | C11H12N2O |
| Molecular Weight: | 188.229 |
| Synonyms: | Antipyrine(8CI);1,5-Dimethyl-2-phenyl-1,2-dihydropyrazol-3-one;2,3-Dimethyl-1-phenyl-3-pyrazolin-5-one;2,3-Dimethyl-1-phenyl-5-pyrazolone;Azophen;Azophene;Dentigoa N;Dimethyloxychinizin;Fenazone;Methozin;NSC7945;Oxydimethylquinazine;Parodyne;Phenazon;Phenazone;Phenazone(pharmaceutical);Phenylon;Phenylone;Pyrazophyl;Sedatin;Sedatine; |
| EINECS: | 200-486-6 |
| Density: | 1.156 g/cm3 |
| Melting Point: | 109-111 °C(lit.) |
| Boiling Point: | 319 °C at 760 mmHg |
| Flash Point: | 114.8 °C |
| Solubility: | 1000 g/L (20 °C) in water |
| Appearance: | White Powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26-36-37/39 |
| Transport Information: | UN 3249 |
| PSA: | 26.93000 |
| LogP: | 1.48440 |
- 81281-59-67-Benzylideneaminotheophylline
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- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
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- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
| Conditions | Yield |
|---|---|
| at 160℃; for 5h; | 71% |
| at 140 - 170℃; |
- 948853-49-4
4-(2,3-dimethyl-5-oxo-2,5-dihydro-pyrazol-1-yl)-benzoic acid
- 60-80-0
antipyrine
| Conditions | Yield |
|---|---|
| With potassium carbonate In chloroform at 20℃; for 24h; Irradiation; Inert atmosphere; | 68% |
| Conditions | Yield |
|---|---|
| Stage #1: edaravone; methyl iodide In acetonitrile at 120℃; Stage #2: With sodium hydrogencarbonate In water; ethyl acetate | 58% |
| With methanol at 100 - 120℃; im Rohr; | |
| With sodium hydrogencarbonate In acetonitrile | |
| In acetonitrile for 12h; Heating; Sealed tube; |
| Conditions | Yield |
|---|---|
| With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran for 20h; Ambient temperature; | A 53% B 14% |
| With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran for 20h; Product distribution; Ambient temperature; various solvents, various ratio of products; |
- 186581-53-3, 908094-01-9
diazomethane
- 19735-89-8
3-methyl-1-phenylpyrazolin-5(4H)-one
A
- 27349-35-5
5-methoxy-3-methyl-1-phenyl-1H-pyrazole
B
- 60-80-0
antipyrine
| Conditions | Yield |
|---|---|
| With hydrogenchloride at 120℃; | |
| With ethyl bromide at 120℃; |
| Conditions | Yield |
|---|---|
| With methoxybenzene | |
| at 132℃; |
| Conditions | Yield |
|---|---|
| With methylpyridine at 135℃; | |
| With antipyrine at 135℃; |
| Conditions | Yield |
|---|---|
| at 150 - 160℃; |
| Conditions | Yield |
|---|---|
| With xylene at 150℃; | |
| With calcium oxide In methanol |
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Consensus Reports
Specification
The Antipyrine is an organic compound with the formula C11H12N2O. The IUPAC name of this chemical is 1,5-dimethyl-2-phenylpyrazol-3-one. With the CAS registry number 60-80-0, it is also named as 3H-pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-. The product's categories are Intermediates & Fine Chemicals; Pharmaceuticals; Lipid signaling. Besides, it is a white powder, which should be stored in a closed dark and dry place. It is an analgesic and antipyretic.
Physical properties about Antipyrine are: (1)ACD/LogP: 0.27; (2)ACD/LogD (pH 5.5): 0.27; (3)ACD/LogD (pH 7.4): 0.27; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 33.34; (7)ACD/KOC (pH 7.4): 33.34; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 23.55 Å2; (11)Index of Refraction: 1.585; (12)Molar Refractivity: 54.55 cm3; (13)Molar Volume: 162.7 cm3; (14)Polarizability: 21.62×10-24cm3; (15)Surface Tension: 42.7 dyne/cm; (16)Density: 1.156 g/cm3; (17)Flash Point: 114.8 °C; (18)Enthalpy of Vaporization: 56.05 kJ/mol; (19)Boiling Point: 319 °C at 760 mmHg; (20)Vapour Pressure: 0.000348 mmHg at 25°C.
Preparation: this chemical is formed by reducing diortho- dinitrodiphenyl with sodium amalgam and methyl alcohol, or by heating diphenylene-ortho-dihydrazine with hydrochloric acid to 150 °C. It crystallizes in needles which melt at 156 °C. Potassium permanganate oxidizes it to pyridazine tetracarboxylic acid.
Uses of Antipyrine: it can be used to produce N-methyl-N'-phenyl-hydrazine at temperature of 130 °C. It will need reagent alcoholic KOH-solution.
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When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2\C=C(/N(N2c1ccccc1)C)C
(2)InChI: InChI=1/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3
(3)InChIKey: VEQOALNAAJBPNY-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3
(5)Std. InChIKey: VEQOALNAAJBPNY-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LDLo | intravenous | 525mg/kg (525mg/kg) | SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD GASTROINTESTINAL: NAUSEA OR VOMITING | Journal of Pharmacology and Experimental Therapeutics. Vol. 39, Pg. 177, 1930. |
| cat | LDLo | oral | 1250mg/kg (1250mg/kg) | SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD GASTROINTESTINAL: NAUSEA OR VOMITING | Journal of Pharmacology and Experimental Therapeutics. Vol. 39, Pg. 177, 1930. |
| cat | LDLo | rectal | 800mg/kg (800mg/kg) | Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 33, Pg. 10, 1944. | |
| cat | LDLo | subcutaneous | 700mg/kg (700mg/kg) | "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1304, 1935. | |
| dog | LDLo | oral | 500mg/kg (500mg/kg) | "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1304, 1935. | |
| frog | LDLo | subcutaneous | 2gm/kg (2000mg/kg) | "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1304, 1935. | |
| guinea pig | LDLo | oral | 1400mg/kg (1400mg/kg) | "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 14, 1959. | |
| guinea pig | LDLo | subcutaneous | 1600mg/kg (1600mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION CARDIAC: PULSE RATE | Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 186, Pg. 195, 1937. |
| man | LDLo | unreported | 74mg/kg (74mg/kg) | "Poisoning; Toxicology, Symptoms, Treatments," 2nd ed., Arena, J.M., Springfield, IL, C.C. Thomas, 1970Vol. 2, Pg. 73, 1970. | |
| mouse | LD50 | intraperitoneal | 750mg/kg (750mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 376, 1962. | |
| mouse | LD50 | intravenous | 500mg/kg (500mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 10, Pg. 686, 1960. | |
| mouse | LD50 | oral | 1310mg/kg (1310mg/kg) | Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 45, Pg. 137, 1956. | |
| mouse | LD50 | subcutaneous | 1gm/kg (1000mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 17, Pg. 214, 1967. | |
| rabbit | LDLo | intravenous | 600mg/kg (600mg/kg) | "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 14, 1959. | |
| rabbit | LDLo | subcutaneous | 1gm/kg (1000mg/kg) | "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1304, 1935. | |
| rat | LD50 | oral | 1705mg/kg (1705mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 9, Pg. 401, 1959. | |
| rat | LDLo | subcutaneous | 1570mg/kg (1570mg/kg) | AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC CARDIAC: OTHER CHANGES | Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 186, Pg. 195, 1937. |