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Benzoicacid, 2-(aminocarbonyl)-6-nitro-

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Name

Benzoicacid, 2-(aminocarbonyl)-6-nitro-

EINECS N/A
CAS No. 65911-46-8 Density 1.585 g/cm3
PSA 126.21000 LogP 1.61540
Solubility N/A Melting Point N/A
Formula C8H6N2O5 Boiling Point 394.2 °C at 760 mmHg
Molecular Weight 210.146 Flash Point 192.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 65911-46-8 (2-Carbamoyl-6-nitrobenzoic Acid) Hazard Symbols N/A
Synonyms

6-Nitrophthalamicacid;2-Carbamoyl-6-nitrobenzoic acid;2-(Aminocarbonyl)-6-nitrobenzoic acid;

Article Data 17

Benzoicacid, 2-(aminocarbonyl)-6-nitro- Specification

The Benzoicacid, 2-(aminocarbonyl)-6-nitro-, with the CAS registry number 65911-46-8, is also known as 6-Nitrophthalamicacid. This chemical's molecular formula is C8H6N2O5 and molecular weight is 210.14. What's more, its systematic name is 2-Carbamoyl-6-nitrobenzoic acid and it belongs to the product category of Acids and Derivatives. 

Physical properties of Benzoicacid, 2-(aminocarbonyl)-6-nitro- are: (1)ACD/LogP: -0.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.3; (4)ACD/LogD (pH 7.4): -3.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 92.43 Å2; (13)Index of Refraction: 1.655; (14)Molar Refractivity: 48.65 cm3; (15)Molar Volume: 132.5 cm3; (16)Polarizability: 19.28×10-24 cm3; (17)Surface Tension: 82.4 dyne/cm; (18)Density: 1.585 g/cm3; (19)Flash Point: 192.2 °C; (20)Enthalpy of Vaporization: 67.94 kJ/mol; (21)Boiling Point: 394.2 °C at 760 mmHg; (22)Vapour Pressure: 6.39E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cccc(c1C(=O)O)C(=O)N
(2)InChI: InChI=1/C8H6N2O5/c9-7(11)4-2-1-3-5(10(14)15)6(4)8(12)13/h1-3H,(H2,9,11)(H,12,13)
(3)InChIKey: QYLIVYPDIARSHA-UHFFFAOYSA-N

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