N-(4-Nitrophenyl)-3-oxobutyramide supplier

Name
4'-nitroacetoacetanilide
EINECS 225-418-2
CAS No. 4835-39-6
Article Data38
CAS DataBase
Density 1.331 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₀N₂O₄
Boiling Point 498.6 °C at 760 mmHg
Molecular Weight 222.2
Flash Point 255.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetoacetanilide,4'-nitro- (6CI,7CI,8CI);4'-Nitroacetoacetanilide;N-(4-Nitrophenyl)-3-oxobutanamide;N-(4-Nitrophenyl)acetoacetamide;NSC 25193;p-Nitroacetoacetanilide;
PSA 91.99000
LogP 2.10860

N-(4-Nitrophenyl)-3-oxobutyramide Specification

The CAS register number of N-(4-Nitrophenyl)-3-oxobutyramide is 4835-39-6. It also can be called as 4'-Nitroacetoacetanilide and the IUPAC name about this chemical is N-(4-nitrophenyl)-3-oxobutanamide. The molecular formula about this chemical is C₁₀H₁₀N₂O₄and molecular weight is 222.20.

Physical properties about N-(4-Nitrophenyl)-3-oxobutyramide are: (1)ACD/LogP: 1.26; (2)ACD/LogD (pH 5.5): 0.64; (3)ACD/BCF (pH 5.5): 1.28; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 27.64; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 91.99Å²; (11)Index of Refraction: 1.593; (12)Molar Refractivity: 56.57 cm³; (13)Molar Volume: 166.8 cm³; (14)Polarizability: 22.42x10^-24cm³; (15)Surface Tension: 55.2 dyne/cm; (16)Enthalpy of Vaporization: 76.68 kJ/mol; (17)Boiling Point: 498.6 °C at 760 mmHg; (18)Vapour Pressure: 4.47E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)Nc1ccc(cc1)C(=O)C[N+]([O-])=O
(2)InChI: InChI=1/C10H10N2O4/c1-7(13)11-9-4-2-8(3-5-9)10(14)6-12(15)16/h2-5H,6H2,1H3,(H,11,13)
(3)InChIKey: GCEPJLJWZTVCRS-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C10H10N2O4/c1-7(13)11-9-4-2-8(3-5-9)10(14)6-12(15)16/h2-5H,6H2,1H3,(H,11,13)
(5)Std. InChIKey: GCEPJLJWZTVCRS-UHFFFAOYSA-N

Product Name

4'-nitroacetoacetanilide

N-(4-Nitrophenyl)-3-oxobutyramide Specification

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