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5-Amino-1-ethylpyrazol

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Name

5-Amino-1-ethylpyrazol

EINECS N/A
CAS No. 3528-58-3 Density 1.16 g/cm3
PSA 43.84000 LogP 1.06640
Solubility N/A Melting Point 52-57 °C(lit.)
Formula C5H9N3 Boiling Point 238.6 °C at 760 mmHg
Molecular Weight 111.147 Flash Point 98.1 °C
Transport Information N/A Appearance N/A
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 3528-58-3 (5-Amino-1-ethylpyrazole) Hazard Symbols IrritantXi
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;

Article Data 20

5-Amino-1-ethylpyrazol 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

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