NSC 126937
3,5-diphenyl-1H-pyrazole
CAS: 1145-01-3
Molecular Formula: C15H12N2
NSC 126937 - Names and Identifiers
| Name | 3,5-diphenyl-1H-pyrazole |
| Synonyms | NSC 126937 3,5-Diphenylpyrazole 3,5-DIPHENYLPYRAZOLE Pyrazole,3,5-diphenyl- Pyrazole, 3,5-diphenyl- 3,5-diphenyl-1h-pyrazol 3,5-Diphenyl-1H-pyrazole 3,5-diphenyl-1H-pyrazole 3,5-DIPHENYL-1H-PYRAZOLE 1H-Pyrazole,3,5-diphenyl- 1H-Pyrazole, 3,5-diphenyl- |
| CAS | 1145-01-3 |
| EINECS | 214-543-8 |
| InChI | InChI=1/C15H12N2/c1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13/h1-11H,(H,16,17) |
NSC 126937 - Physico-chemical Properties
| Molecular Formula | C15H12N2 |
| Molar Mass | 220.27 |
| Density | 1.1405 (rough estimate) |
| Melting Point | 199-203 °C (lit.) |
| Boling Point | 351.21°C (rough estimate) |
| Flash Point | 207.2°C |
| Vapor Presure | 1.28E-07mmHg at 25°C |
| Appearance | Crystalline Powder |
| Color | White |
| BRN | 158264 |
| pKa | 13.04±0.10(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.5000 (estimate) |
| MDL | MFCD00039675 |
| Physical and Chemical Properties | The pure product is a white crystalline solid, m.p.198 ~ 200 ℃, insoluble in water, and has little solubility in toluene, xylene, chlorobenzene and other solvents at room temperature. |
NSC 126937 - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R22 - Harmful if swallowed R37/38 - Irritating to respiratory system and skin. R41 - Risk of serious damage to eyes |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S39 - Wear eye / face protection. S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29331990 |
NSC 126937 - Reference Information
| chemical properties | pure product is a white crystalline solid, m.p.198 ~ 200 ℃, insoluble in water, and very soluble in toluene, xylene, chlorobenzene and other solvents at room temperature. |
| use | 3, 5-diphenylpyrazole is an intermediate of the herbicide wild swallows. Intermediate of herbicide pyrazole. |
| production method | from 2,3-epoxy -1,3-diphenylacetone -1 and hydrazine hydrate Synthesis. The preparation method is to add 95% ethanol in the reaction kettle, add acetophenone and benzaldehyde under stirring, then add 30% lye, after stirring at room temperature for 2 hours, use gas chromatography to analyze and control the end point of the reaction, after the reaction, Use dilute acid to neutralize to pH = 7 below, the product chalcone, add 80% hydrazine hydrate in the chalcone solution under cooling conditions, and control the reaction temperature not to exceed 30 ℃, after adding, continue to stir for 15min, heat and steam out most of the ethanol, stand after the solution is divided into two layers, the lower layer of 3, 5-diphenylpyrazoline is put into a dehydrogenation reactor while it is hot. Add xylene into the reaction kettle, add the 3, 5-diphenylpyrazoline obtained above, immediately raise the temperature and heat, and add sulfur in batches. With the evaporation of xylene, the reaction temperature continues to rise, and after 160 ℃ Keep it for 1~1.5h, slowly add the distilled xylene after a little cooling, cool to room temperature, and filter to obtain the finished product. Or heat the chalcone ethanol solution obtained by the above method, evaporate all the ethanol, add chlorobenzene while it is hot, and separate the aqueous phase at rest to obtain the chalcone chlorobenzene solution. After analyzing the content, the required chlorine gas is introduced, the chlorine gas temperature is lower than 60 ℃, and the chlorine gas passing time is about 1h. After Cl2 passing, heat the dichlorochalcone chlorobenzene solution to drive out the unreacted chlorine gas, analyze the content of dichlorochalcone, add the required amount of hydrazine hydrate and sodium hydroxide, react at 80 ℃ for 5h, and control the disappearance of dichlorochalcone by chromatography to determine the end point of the reaction. The aqueous phase is separated while it is hot. After the organic phase is cooled, the finished product is obtained by filtering. |
| EPA chemical information | information provided by: ofmpub.epa.gov (external link) |
Last Update：2024-04-10 22:29:15
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View History
NSC 126937
2,4-Dicloro actophenone
2-METHYL-4-OXO-4-(3'-FLUOROPHENYL)BUTYRIC ACID
Phosphinic acid, (2-chloroethyl)methyl-, methyl ester (9CI)
Emodin Impurity 10
(S)-Omeprazole magnesium dihydrate, Nexium dihydrate, (T-4)-Bis[6-methoxy-2-[(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl-KO]-1H-benzimidazolato-KN3]-
5-氟-2-(三氟甲基)苯甲酸甲酯
(R)-1-{(SP)-2-[Di(2-furyl)phosphino]ferrocenyl}ethylbis(2-Methylphenyl)phosphine
N-(2-氟苯基)-3-氧代丁酰胺
2-异丙烯基三丁基锡烷
2,4-Dicloro actophenone
2-METHYL-4-OXO-4-(3'-FLUOROPHENYL)BUTYRIC ACID
Phosphinic acid, (2-chloroethyl)methyl-, methyl ester (9CI)
Emodin Impurity 10
(S)-Omeprazole magnesium dihydrate, Nexium dihydrate, (T-4)-Bis[6-methoxy-2-[(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl-KO]-1H-benzimidazolato-KN3]-
5-氟-2-(三氟甲基)苯甲酸甲酯
(R)-1-{(SP)-2-[Di(2-furyl)phosphino]ferrocenyl}ethylbis(2-Methylphenyl)phosphine
N-(2-氟苯基)-3-氧代丁酰胺
2-异丙烯基三丁基锡烷