CAS No.3528-58-3,5-Amino-1-ethylpyrazole Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3528-58-3
Name:	5-Amino-1-ethylpyrazole
Article Data:	20

Formula:	C₅H₉N₃
Molecular Weight:	111.147
Synonyms:	Pyrazole,5-amino-1-ethyl- (7CI,8CI);1-Ethyl-1H-pyrazol-5-amine;1-Ethyl-1H-pyrazol-5-ylamine;1-Ethyl-5-aminopyrazole;2-Ethyl-2H-pyrazol-3-ylamine;5-Amino-1-ethyl-1H-pyrazole;1H-Pyrazol-5-amine,1-ethyl-;NSC 354694;
Density:	1.16 g/cm³
Melting Point:	52-57 °C(lit.)
Boiling Point:	238.6 °C at 760 mmHg
Flash Point:	98.1 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	43.84000
LogP:	1.06640

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Specification

The 5-Amino-1-ethylpyrazole, with the CAS registry number 3528-58-3, is also known as 1-Ethyl-1H-pyrazol-5-amine. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Pyrazoles. This chemical's molecular formula is C₅H₉N₃ and molecular weight is 111.15. What's more, its systematic name is 2-ethylpyrazol-3-amine. It should be sealed and stored in a cool and dry place.

Physical properties of 5-Amino-1-ethylpyrazole are: (1)ACD/LogP: -0.58; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 21.06 Å²; (7)Index of Refraction: 1.579; (8)Molar Refractivity: 31.77 cm³; (9)Molar Volume: 95.5 cm³; (10)Surface Tension: 44 dyne/cm; (11)Density: 1.16 g/cm³; (12)Flash Point: 98.1 °C; (13)Enthalpy of Vaporization: 47.55 kJ/mol; (14)Boiling Point: 238.6 °C at 760 mmHg; (15)Vapour Pressure: 0.042 mmHg at 25°C.

Preparation: this chemical can be prepared by ethyl-pyrazol-1-yl-amine at the temperature of 140 °C. This reaction will need reagent 48% HBr acid. The yield is about 81%.

Uses of 5-Amino-1-ethylpyrazole: it can be used to produce 1-ethyl-1H-pyrazolo[3,4-b]pyridine. This reaction will need reagent nitrobenzene, conc. H₂SO₄. The yield is about 41%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCN1C(=CC=N1)N
(2)InChI: InChI=1S/C5H9N3/c1-2-8-5(6)3-4-7-8/h3-4H,2,6H2,1H3
(3)InChIKey: FSJOLBAFVKSQQJ-UHFFFAOYSA-N