Benzoic acid,3,5-bis(acetylamino)-2-nitro- supplier

Name
3,5-BIS(ACETYLAMINO)-2-NITRO-BENZOIC ACID
EINECS
CAS No. 54002-29-8
Density 1.562 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₁N₃O₆
Boiling Point 636.2 °C at 760 mmHg
Molecular Weight 281.225
Flash Point 338.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,5-Bis(acetylamino)-2-nitrobenzoic acid;3,5-Di(acetylamino)-2-nitrobenzoic acid;
PSA 141.32000
LogP 1.87900

Benzoic acid,3,5-bis(acetylamino)-2-nitro- Specification

The Benzoic acid,3,5-bis(acetylamino)-2-nitro-, with the CAS registry number 54002-29-8, is also known as 3,5-Di(acetylamino)-2-nitrobenzoic acid. This chemical's molecular formula is C₁₁H₁₁N₃O₆ and molecular weight is 281.22. What's more, its systematic name is 3,5-Bis(acetylamino)-2-nitrobenzoic acid.

Physical properties of Benzoic acid,3,5-bis(acetylamino)-2-nitro- are: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 9; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 112.74 Å²; (11)Index of Refraction: 1.683; (12)Molar Refractivity: 68.27 cm³; (13)Molar Volume: 179.9 cm³; (14)Polarizability: 27.06×10^-24cm³; (15)Surface Tension: 76.5 dyne/cm; (16)Density: 1.562 g/cm³; (17)Flash Point: 338.6 °C; (18)Enthalpy of Vaporization: 98.8 kJ/mol; (19)Boiling Point: 636.2 °C at 760 mmHg; (20)Vapour Pressure: 4.66E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1cc(cc(c1[N+]([O-])=O)C(=O)O)NC(=O)C)C
(2)InChI: InChI=1S/C11H11N3O6/c1-5(15)12-7-3-8(11(17)18)10(14(19)20)9(4-7)13-6(2)16/h3-4H,1-2H3,(H,12,15)(H,13,16)(H,17,18)
(3)InChIKey: LYEIUSNYOPSUKN-UHFFFAOYSA-N

Product Name

3,5-BIS(ACETYLAMINO)-2-NITRO-BENZOIC ACID

Benzoic acid,3,5-bis(acetylamino)-2-nitro- Specification

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