5-(2-Nitrophenyl)-4H-1,2,4-triazol-3-amine supplier

Name
5-(2-Nitrophenyl)-4H-1,2,4-triazol-3-amine
EINECS
CAS No. 59301-22-3
Density 1.535 g/cm³
Solubility
Melting Point
Formula C₈H₇N₅O₂
Boiling Point 515.1 °C at 760 mmHg
Molecular Weight 205.176
Flash Point 265.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-1,2,4-Triazol-3-amine,5-(2-nitrophenyl)- (9CI);4H-1,2,4-triazol-3-amine, 5-(2-nitrophenyl)-;5-(2-Nitrophenyl)-4H-1,2,4-triazol-3-amine;
PSA 114.14000
LogP 1.41540

5-(2-Nitrophenyl)-4H-1,2,4-triazol-3-amine Specification

The 5-(2-Nitrophenyl)-4H-1,2,4-triazol-3-amine, with the CAS registry number 59301-22-3, is also called 4H-1,2,4-triazol-3-amine, 5-(2-nitrophenyl)-. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₈H₇N₅O₂.

The characteristics of 5-(2-Nitrophenyl)-4H-1,2,4-triazol-3-amine are as followings: (1)ACD/LogP: 0.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.69; (4)ACD/LogD (pH 7.4): 0.69; (5)ACD/BCF (pH 5.5): 1.98; (6)ACD/BCF (pH 7.4): 1.98; (7)ACD/KOC (pH 5.5): 56.71; (8)ACD/KOC (pH 7.4): 56.7; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 79.77 Å²; (13)Index of Refraction: 1.71; (14)Molar Refractivity: 52.24 cm³; (15)Molar Volume: 133.6 cm³; (16)Polarizability: 20.71×10^-24cm³; (17)Surface Tension: 88.5 dyne/cm; (18)Density: 1.535 g/cm³; (19)Flash Point: 265.3 °C; (20)Enthalpy of Vaporization: 78.69 kJ/mol; (21)Boiling Point: 515.1 °C at 760 mmHg; (22)Vapour Pressure: 1.01E-10 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-][N+](=O)c1ccccc1c2nc(nn2)N
(2)InChI: InChI=1/C8H7N5O2/c9-8-10-7(11-12-8)5-3-1-2-4-6(5)13(14)15/h1-4H,(H3,9,10,11,12)
(3)InChIKey: OXVOSTFDRAAYSZ-UHFFFAOYAU

Product Name

5-(2-Nitrophenyl)-4H-1,2,4-triazol-3-amine

5-(2-Nitrophenyl)-4H-1,2,4-triazol-3-amine Specification

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