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| CAS No.: | 113808-86-9 |
|---|---|
| Name: | 3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID |
| Molecular Structure: | |
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| Formula: | C6H8N2O2 |
| Molecular Weight: | 140.142 |
| Synonyms: | 3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID;AKOS PAO-0336;1H-Pyrazole-4-carboxylicacid,3,5-dimethyl-(9CI);3,5-Dimethyl-1H-pyrazole-4-carboxylic acid ,97%;3,5-Dimethylpyrazole-4-carboxylic Acid;3,5-diMethyl-1H-pyrazol-4-carboxylic acid;4-Carboxy-3,5-dimethyl-1H-pyrazole |
| Density: | 1.321g/cm3 |
| Melting Point: | 273 °C |
| Boiling Point: | 368.3°C at 760 mmHg |
| Flash Point: | 176.6°C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 65.98000 |
| LogP: | 0.72470 |
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Specification
The 1H-Pyrazole-4-carboxylicacid, 3,5-dimethyl- has CAS registry number 113808-86-9. It belongs to the product categories of Carboxylicacid; Carboxylic Acids; Pyrazoles & Triazoles; Carboxylic Acids; Pyrazoles & Triazoles. This chemical's molecular formula is C6H8N2O2 and molecular weight is 140.14. What's more, its IUPAC name is 3,5-dimethyl-1H-pyrazole-4-carboxylic acid.
Physical properties of 1H-Pyrazole-4-carboxylicacid, 3,5-dimethyl- are: (1)ACD/LogP: 0.914; (2)ACD/LogD (pH 5.5): -1.2; (3)ACD/LogD (pH 7.4): -2.18; (4)#H bond acceptors: 4; (5)#Freely Rotating Bonds: 1; (6)#H bond donors: 2; (7)Polar Surface Area: 44.12.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(nnc1C)C
(2)Std. InChI: InChI=1S/C6H8N2O2/c1-3-5(6(9)10)4(2)8-7-3/h1-2H3,(H,7,8)(H,9,10)
(3)Std. InChIKey: IOOWDXMXZBYKLR-UHFFFAOYSA-N