-
Name
3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
- EINECS
- CAS No. 113808-86-9
- Article Data3
- CAS DataBase
- Density 1.321g/cm3
- Solubility
- 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
- Appearance
- Safety 26-36/37/39
- Risk Codes 36/37/38
-
Molecular Structure
-
Hazard Symbols
Xi
- 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
- PSA 65.98000
- LogP 0.72470
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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