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96799-02-9

Basic Information
CAS No.: 96799-02-9
Name: 3-(2-FURYL)-1H-PYRAZOL-5-AMINE
Article Data: 3
Molecular Structure:
Molecular Structure of 96799-02-9 (3-(2-FURYL)-1H-PYRAZOL-5-AMINE)
Formula: C7H7N3O
Molecular Weight: 149.152
Synonyms: 3-(Furan-2-yl)-2H-pyrazol-5-ylamine;3-Amino-5-(2-furyl)pyrazole;5-(Furan-2-yl)-2H-pyrazol-3-ylamine;5-Amino-3-(furan-2-yl)-1H-pyrazole;5-Furan-2-yl-1H-pyrazol-3-ylamine;
EINECS: -0
Density: 1.339 g/cm3
Melting Point: 126-130 °C(lit.)
Boiling Point: 429.9 °C at 760mmHg
Flash Point: 213.8 °C
Solubility: insoluble in water
Appearance: Brown crystalline powder
Hazard Symbols: HarmfulXn, IrritantXi
Risk Codes: 22-36/37/38
Safety: 26-36
PSA: 67.84000
LogP: 1.83310
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Specification

The systematic name of 1H-Pyrazol-3-amine,5-(2-furanyl)- is 5-(furan-2-yl)-1H-pyrazol-3-amine. With the CAS registry number 96799-02-9, it is also named as 3-Amino-5-(2-furyl)pyrazole. The product's categories are Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Pyrazoles. It is brown crystalline powder which is insoluble in water and stable under noremal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of 1H-Pyrazol-3-amine,5-(2-furanyl)- can be summarized as: (1)ACD/LogP: -0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.3; (4)ACD/LogD (pH 7.4): -0.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.13; (8)ACD/KOC (pH 7.4): 16.5; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 34.2 Å2; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 39.9 cm3; (15)Molar Volume: 111.3 cm3; (16)Polarizability: 15.81×10-24cm3; (17)Surface Tension: 63.4 dyne/cm; (18)Density: 1.339 g/cm3; (19)Flash Point: 213.8 °C; (20)Enthalpy of Vaporization: 68.53 kJ/mol; (21)Boiling Point: 429.9 °C at 760 mmHg; (22)Vapour Pressure: 1.35E-07 mmHg at 25°C.

Uses of 1H-Pyrazol-3-amine,5-(2-furanyl)-: It can react with N-acetylthioacηmide to get 7-furan-2-yl-2,4-dimethyl-pyrazolo[1,5-a][1,3,5]triazine. This reaction needs solvent ethanol at temperature of 60 °C. The reaction time is 24 hours. The yield is 62%. 

When you are using this chemical, please be cautious about it as the following:
It is not only harmful if swallowed, but also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing. 

People can use the following data to convert to the molecule structure. 
1. SMILES:n1c(N)cc(n1)c2occc2
2. InChI:InChI=1/C7H7N3O/c8-7-4-5(9-10-7)6-2-1-3-11-6/h1-4H,(H3,8,9,10)
3. InChIKey:XJNZHICOWTVWOX-UHFFFAOYAF