Name: 3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
SKU: 113808-86-9

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Basic Information

Molecular Structure:
CAS No.:	113808-86-9
Name:	3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
Article Data:	3

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
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