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(3,5-Dimethylpyrazol-1-yl)acetic acid

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Name

(3,5-Dimethylpyrazol-1-yl)acetic acid

EINECS N/A
CAS No. 16034-49-4 Density 1.234 g/cm3
PSA 55.12000 LogP 0.58450
Solubility N/A Melting Point 186-192°C
Formula C7H10N2O2 Boiling Point 306.759 °C at 760 mmHg
Molecular Weight 154.169 Flash Point 139.323 °C
Transport Information N/A Appearance N/A
Safety Risk Codes  Xi:;
Molecular Structure Molecular Structure of 16034-49-4 ((3,5-DIMETHYL-PYRAZOL-1-YL)-ACETIC ACID) Hazard Symbols IrritantXi
Synonyms

Acetic acid, 2-(3,5-dimethyl-1-pyrazolyl)-;(3,5-Dimethyl-1H-pyrazol-1-yl)acetic acid;3,5-Dimethyl-1-pyrazolylacetic acid;

Article Data 8

(3,5-Dimethylpyrazol-1-yl)acetic acid Specification

The 1H-Pyrazole-1-aceticacid, 3,5-dimethyl-, with the CAS registry number 16034-49-4, is also known as Acetic acid, 2-(3,5-dimethyl-1-pyrazolyl)-. This chemical's molecular formula is C7H10N2O2 and molecular weight is 154.17. What's more, its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)acetic acid. When you are using this chemical, please be cautious about it. It may cause inflammation to the skin or other mucous membranes. 

Physical properties of 1H-Pyrazole-1-aceticacid, 3,5-dimethyl- are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 55.12 Å2; (10)Index of Refraction: 1.563; (11)Molar Refractivity: 40.596 cm3; (12)Molar Volume: 124.94 cm3; (13)Polarizability: 16.094×10-24cm3; (14)Surface Tension: 43.033 dyne/cm; (15)Density: 1.234 g/cm3; (16)Flash Point: 139.323 °C; (17)Enthalpy of Vaporization: 57.789 kJ/mol; (18)Boiling Point: 306.759 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by 3,5-dimethyl-1H-pyrazole and chloroacetic acid by heating. This reaction will need reagent Alkylation and solvent H2O with the reaction time of 8 hours. The yield is about 84%.

1H-Pyrazole-1-aceticacid, 3,5-dimethyl- can be prepared by 3,5-dimethyl-1H-pyrazole and chloroacetic acid by heating

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(n(n1)CC(=O)O)C
(2)Std. InChI: InChI=1S/C7H10N2O2/c1-5-3-6(2)9(8-5)4-7(10)11/h3H,4H2,1-2H3,(H,10,11)
(3)Std. InChIKey: JYSWEDYPQJOEPO-UHFFFAOYSA-N

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