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CAS No.: | 32580-41-9 |
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Name: | (2-Acetyl-4-nitrophenyl)amine |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C8H8N2O3 |
Molecular Weight: | 180.163 |
Synonyms: | Acetophenone, 2'-amino-5'-nitro- (8CI);2'-Amino-5'-nitroacetophenone; |
Density: | 1.333 g/cm3 |
Melting Point: | 151-152℃ |
Boiling Point: | 332.9 °C at 760 mmHg |
Flash Point: | 155.1 °C |
PSA: | 88.91000 |
LogP: | 2.48400 |
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The Ethanone, 1-(2-amino-5-nitrophenyl)-, with the CAS registry number 32580-41-9, is also known as (2-Acetyl-4-nitrophenyl)amine. This chemical's molecular formula is C8H8N2O3 and molecular weight is 180.1607. Its systematic name is called 1-(2-amino-5-nitrophenyl)ethanone.
Physical properties of Ethanone, 1-(2-amino-5-nitrophenyl)-: (1)ACD/LogP: 2.17; (2)ACD/LogD (pH 5.5): 2.17; (3)ACD/LogD (pH 7.4): 2.17; (4)ACD/BCF (pH 5.5): 26.2; (5)ACD/BCF (pH 7.4): 26.2; (6)ACD/KOC (pH 5.5): 360.42; (7)ACD/KOC (pH 7.4): 360.42; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.613; (12)Molar Refractivity: 47.06 cm3; (13)Molar Volume: 135 cm3; (14)Surface Tension: 58.6 dyne/cm; (15)Density: 1.333 g/cm3; (16)Flash Point: 155.1 °C; (17)Enthalpy of Vaporization: 57.57 kJ/mol; (18)Boiling Point: 332.9 °C at 760 mmHg; (19)Vapour Pressure: 0.000141 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cc(ccc1N)[N+]([O-])=O)C
(2)InChI: InChI=1/C8H8N2O3/c1-5(11)7-4-6(10(12)13)2-3-8(7)9/h2-4H,9H2,1H3
(3)InChIKey: WYSBWHYLQMVOOL-UHFFFAOYAU