CAS No.2820-37-3,3,4-DIMETHYL PYRAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2820-37-3
Name:	3,4-DIMETHYL PYRAZOLE
Article Data:	21

Formula:	C₅H₈N₂
Molecular Weight:	96.1319
Synonyms:	Pyrazole,3,4(or 4,5)-dimethyl- (7CI);Pyrazole, 3,4-dimethyl- (6CI,8CI);3,4-Dimethyl-1H-pyrazole;1H-Pyrazole,3,4-dimethyl-;
EINECS:	429-130-1
Density:	1.027 g/cm³
Melting Point:	44-46 °C
Boiling Point:	220.3 °C at 760 mmHg
Flash Point:	98.7 °C
Solubility:	Slightly soluble in water.
Appearance:	Light Yellow Solid
Hazard Symbols:	Xn
Risk Codes:	22-41-52/53
Safety:	26-39-61
PSA:	28.68000
LogP:	1.02650

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Specification

The 3,4-Dimethylpyrazole, with the CAS registry number 2820-37-3, is also known as 3,4-dimethyl-1H-pyrazole. It belongs to the product categories of Heterocyclic Compounds; Bases & Related Reagents; Heterocycles; Nucleotides. This chemical's molecular formula is C₅H₈N₂ and formula weight is 96.13. What's more, its IUPAC name is 4,5-dimethyl-1H-pyrazole.

Physical properties of 3,4-Dimethylpyrazole are: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.21; (4)ACD/LogD (pH 7.4): 1.24; (5)ACD/BCF (pH 5.5): 4.85; (6)ACD/BCF (pH 7.4): 5.13; (7)ACD/KOC (pH 5.5): 105.98; (8)ACD/KOC (pH 7.4): 112.16; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 28.42 cm³; (15)Molar Volume: 93.5 cm³; (16)Surface Tension: 40.7 dyne/cm; (17)Density: 1.027 g/cm³; (18)Flash Point: 98.7 °C; (19)Enthalpy of Vaporization: 43.82 kJ/mol; (20)Boiling Point: 220.3 °C at 760 mmHg; (21)Vapour Pressure: 0.168 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(NN=C1)C
(2)InChI: InChI=1S/C5H8N2/c1-4-3-6-7-5(4)2/h3H,1-2H3,(H,6,7)
(3)InChIKey: VQTVFIMEENGCJA-UHFFFAOYSA-N