3-(1H-Pyrazol-3-yl)aniline supplier

Name
3-(1H-Pyrazol-3-yl)aniline
EINECS
CAS No. 89260-46-8
Article Data5
CAS DataBase
Density 1.238 g/cm³
Solubility
Melting Point
Formula C₉H₉N₃
Boiling Point 442.3 °C at 760 mmHg
Molecular Weight 159.191
Flash Point 251.5 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms Benzenamine, 3-(1H-pyrazol-3-yl)-;
PSA 54.70000
LogP 2.24010

3-(1H-Pyrazol-3-yl)aniline Specification

The 3-(1H-Pyrazol-3-yl)aniline, with the CAS registry number 89260-46-8, is also known as Benzenamine, 3-(1H-pyrazol-3-yl)-. This chemical's molecular formula is C₉H₉N₃ and molecular weight is 159.1879. Its systematic name is called 3-(1H-pyrazol-5-yl)aniline.

Physical properties of 3-(1H-Pyrazol-3-yl)aniline: (1)ACD/LogP: 0.52; (2)ACD/LogD (pH 5.5): 0.47; (3)ACD/LogD (pH 7.4): 0.51; (4)ACD/BCF (pH 5.5): 1.32; (5)ACD/BCF (pH 7.4): 1.45; (6)ACD/KOC (pH 5.5): 41.41; (7)ACD/KOC (pH 7.4): 45.34; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.662; (12)Molar Refractivity: 47.6 cm³; (13)Molar Volume: 128.5 cm³; (14)Surface Tension: 61.6 dyne/cm; (15)Density: 1.238 g/cm³; (16)Flash Point: 251.5 °C; (17)Enthalpy of Vaporization: 69.97 kJ/mol; (18)Boiling Point: 442.3 °C at 760 mmHg; (19)Vapour Pressure: 5.1E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n2ccc(c1cc(ccc1)N)n2
(2)InChI: InChI=1/C9H9N3/c10-8-3-1-2-7(6-8)9-4-5-11-12-9/h1-6H,10H2,(H,11,12)
(3)InChIKey: SXPNWQIDNWGAEB-UHFFFAOYAD

Product Name

3-(1H-Pyrazol-3-yl)aniline

3-(1H-Pyrazol-3-yl)aniline Specification

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