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| CAS No.: | 31037-02-2 |
|---|---|
| Name: | ETHYL 5-AMINO-1-METHYLPYRAZOLE-4-CARBOXYLATE |
| Molecular Structure: | |
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| Formula: | C7H11N3O2 |
| Molecular Weight: | 169.183 |
| Synonyms: | Pyrazole-4-carboxylicacid, 5-amino-1-methyl-, ethyl ester (6CI,8CI);5-Amino-1-methyl-1H-pyrazole-4-carboxylicacid ethyl ester;5-Amino-1-methylpyrazole-4-carboxylic acid ethyl ester;Ethyl1-methyl-5-aminopyrazole-4-carboxylate;Ethyl3-amino-1-methylpyrazole-4-carboxylate;Ethyl5-amino-1-methyl-1H-pyrazole-4-carboxylate;Ethyl 5-amino-1-methyl-4-pyrazolecarboxylate;NSC 114767;NSC 221274; |
| EINECS: | 626-277-3 |
| Density: | 1.29 g/cm3 |
| Melting Point: | 101-102 °C |
| Boiling Point: | 300.5 °C at 760 mmHg |
| Flash Point: | 135.5 °C |
| Appearance: | Off white Crystals /yellow crystals or crystalline powder |
| Hazard Symbols: |
 
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| Risk Codes: | R22;R36/37/38 |
| Safety: | 36/37/39-26-22 |
| PSA: | 70.14000 |
| LogP: | 0.76020 |
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Specification
The 1H-Pyrazole-4-carboxylicacid, 5-amino-1-methyl-, ethyl ester with the cas number 31037-02-2. It is also called (1)1H-Pyrazole-4-carboxylic acid, 5-amino-1-methyl-, ethyl ester ; (2)Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate ; (3)Ethyl-5-amino-1-methyl-1H-pyrazol-4-carboxylat ; (4)5-Amino-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester ; (5)Ethyl 5-Amino-1-methylpyrazole-4-carboxylate ; (6)H-Pyrazole-4-carboxylic acid, 5-amino-1-methyl-, ethyl ester. It belongs to the following product categories: (1)Pyrazole series; (2)Acids and Derivatives; (3)Heterocycles; (4)Esters; (5)Pyrazoles & Triazoles; (6)Pyrazole; (7)Building Blocks; (8)Heterocyclic Building Blocks; (9)Pyrazoles.
Properties ofMethyl 1H-Pyrazole-4-carboxylicacid, 5-amino-1-methyl-, ethyl ester : (1)#H bond acceptors: 5 ; (2)#H bond donors: 2 ; (3)#Freely Rotating Bonds: 4 ; (4) Polar Surface Area: 47.36Å2 ; (5)Index of Refraction: 1.571 ; (6)Molar Refractivity: 43.04 cm3 ; (7)Molar Volume: 131 cm3 ; (8)Polarizability: 17.06 ×10-24cm3 ; (9)Surface Tension: 45.7 dyne/cm ; (10) Density: 1.29 g/cm3 ; (11)Flash Point: 135.5 °C ; (12)Enthalpy of Vaporization: 54.06 kJ/mol ; (13)Boiling Point: 300.5 °C at 760 mmHg ; (14)Vapour Pressure: 0.00112 mmHg at 25°C
The 1H-Pyrazole-4-carboxylicacid, 5-amino-1-methyl-, ethyl ester can be obtained by reation of methylhydrazine with (E)-3-ethoxy-2-cyano-acrylic acid ethyl ester , heating for 12 hour(s), in ethanol, yield is 86 % .
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The 1H-Pyrazole-4-carboxylicacid, 5-amino-1-methyl-, ethyl ester can also react with 1,4-dichloro-phthalazine to get 5-chloro-10-methyl-10H-6,6a,9,10,11-pentaaza-cyclopenta[b]phenanthren-7-one.
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The 1H-Pyrazole-4-carboxylicacid, 5-amino-1-methyl-, ethyl ester (CAS NO.31037-02-2) is used as pesticide intermediates, can be directly used for synthesis of sulfonamide. It is quite irritating to eyes, respiratory system and skin. When you are using this chemical, please wear suitable protective clothing, 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=C(OCC)c1cnn(c1N)C
2.InChI: InChI=1/C7H11N3O2/c1-3-12-7(11)5-4-9-10(2)6(5)8/h4H,3,8H2,1-2H3