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3,5-Dimethyl-1H-pyrazole-4-carboxylic acid

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Name

3,5-Dimethyl-1H-pyrazole-4-carboxylic acid

EINECS N/A
CAS No. 113808-86-9 Density 1.321g/cm3
PSA 65.98000 LogP 0.72470
Solubility N/A Melting Point 273 °C
Formula C6H8N2O2 Boiling Point 368.3°C at 760 mmHg
Molecular Weight 140.142 Flash Point 176.6°C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 113808-86-9 (3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID) Hazard Symbols IrritantXi
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

Article Data 3

3,5-Dimethyl-1H-pyrazole-4-carboxylic acid 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

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