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

Name
2-Carbamoyl-6-nitrobenzoic Acid
EINECS
CAS No. 65911-46-8
Article Data17
CAS DataBase
Density 1.585 g/cm³
Solubility
Melting Point
Formula C₈H₆N₂O₅
Boiling Point 394.2 °C at 760 mmHg
Molecular Weight 210.146
Flash Point 192.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Nitrophthalamicacid;2-Carbamoyl-6-nitrobenzoic acid;2-(Aminocarbonyl)-6-nitrobenzoic acid;
PSA 126.21000
LogP 1.61540

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^-24cm³; (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

Product Name

2-Carbamoyl-6-nitrobenzoic Acid

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

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