CAS No.31230-17-8,3-Amino-5-methylpyrazole Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	31230-17-8
Name:	3-Amino-5-methylpyrazole
Article Data:	2

Formula:	C₄H₇N₃
Molecular Weight:	97.1197
Synonyms:	5-Amino-3-methylpyrazole;5-Methyl-1H-pyrazol-3-amine;5-Methyl-2H-pyrazol-3-ylamine;5-Methyl-3-amino-1H-pyrazole;5-Methyl-3-aminopyrazole;5-Methylpyrazol-3-amine;5-methyl-3-pyrazoliname;Pyrazole,3(or 5)-amino-5(or 3)-methyl- (6CI,7CI);3-Amino-5-methyl-1H-pyrazole;3-Methyl-1H-pyrazol-5-amine;5-Amino-3-methyl-1H-pyrazole;
EINECS:	-0
Density:	1.221 g/cm³
Melting Point:	45-47 °C
Boiling Point:	357 °C at 760 mmHg
Flash Point:	169.5 °C
Appearance:	white to light yellow crystal powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36-37/39
PSA:	54.70000
LogP:	0.88150

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Specification

The IUPAC name of 1H-Pyrazol-3-amine,5-methyl- is 5-methyl-1H-pyrazol-3-amine. With the CAS registry number 31230-17-8, it is also named as 3-Amino-5-methylpyrazole. The product's categories are Amines; Pyrazoles & Triazoles; Pyrazole; Heterocyclic Compounds; Bases & Related Reagents; Heterocycles; Nucleotides; Pyrazoles & Triazoles. Besides, it is white to light yellow crystal powder, which should be stored in sealed container in cool and dry place. And you should ensure that the workplaces have good ventilated or exhaust devices. In addition, its molecular formula is C₄H₇N₃ and molecular weight is 97.12.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.61; (4)ACD/LogD (pH 7.4): -0.51; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.94; (8)ACD/KOC (pH 7.4): 12.62; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.617; (13)Molar Refractivity: 27.83 cm³; (14)Molar Volume: 79.5 cm³; (15)Surface Tension: 63.4 dyne/cm; (16)Density: 1.221 g/cm³; (17)Flash Point: 169.5 °C; (18)Melting point: 41-43 °C; (19)Enthalpy of Vaporization: 60.24 kJ/mol; (20)Boiling Point: 357 °C at 760 mmHg; (21)Vapour Pressure: 2.81E-05 mmHg at 25 °C.

Preparation of 1H-Pyrazol-3-amine,5-methyl-: this chemical can be prepared by 2,3-Dichloro-butyronitrile.

This reaction needs Hydrazine hydrate, K₂CO₃, H₂O and Methanol. The yield is 65.5 %.

Uses of 1H-Pyrazol-3-amine,5-methyl-: it can react with 4-Ethoxymethylene-2-phenyl-4H-oxazol-5-one to get N-(2-Methyl-7-oxo-4,7-dihydro-pyrazolo[1,5-a]pyrimidin-6-yl)-benzamide.

This reaction needs AcOH by heating for 4 hours. The yield is 62 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES: n1c(N)cc(n1)C
(2)InChI: InChI=1/C4H7N3/c1-3-2-4(5)7-6-3/h2H,1H3,(H3,5,6,7)
(3)InChIKey: FYTLHYRDGXRYEY-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C4H7N3/c1-3-2-4(5)7-6-3/h2H,1H3,(H3,5,6,7)
(5)Std. InChIKey: FYTLHYRDGXRYEY-UHFFFAOYSA-N