CAS No.16034-49-4,(3,5-DIMETHYL-PYRAZOL-1-YL)-ACETIC ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	16034-49-4
Name:	(3,5-DIMETHYL-PYRAZOL-1-YL)-ACETIC ACID
Article Data:	8

Formula:	C₇H₁₀N₂O₂
Molecular Weight:	154.169
Synonyms:	Acetic acid, 2-(3,5-dimethyl-1-pyrazolyl)-;(3,5-Dimethyl-1H-pyrazol-1-yl)acetic acid;3,5-Dimethyl-1-pyrazolylacetic acid;
Density:	1.234 g/cm³
Melting Point:	186-192°C
Boiling Point:	306.759 °C at 760 mmHg
Flash Point:	139.323 °C
Hazard Symbols:	Xi
Risk Codes:	Xi:; "> Xi:;
PSA:	55.12000
LogP:	0.58450

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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