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CAS No.: | 610-15-1 |
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Name: | 2-NITROBENZAMIDE |
Article Data: | 85 |
Molecular Structure: | |
Formula: | C7H6N2O3 |
Molecular Weight: | 166.136 |
Synonyms: | Benzamide,o-nitro- (6CI,7CI,8CI);2-Carbamoylnitrobenzene;o-Nitrobenzamide; |
EINECS: | 210-208-5 |
Density: | 1.385 g/cm3 |
Melting Point: | 174-178 °C(lit.) |
Boiling Point: | 317.864 °C at 760 mmHg |
Flash Point: | 146.039 °C |
Appearance: | beige crystalline powder |
Safety: | 24/25 |
PSA: | 88.91000 |
LogP: | 1.91720 |
The IUPAC name of this chemical is 2-Nitrobenzamide. With the CAS registry number 610-15-1 and EINECS registry number 210-208-5, it is also named as Benzamide,2-nitro-. In addition, the molecular formula is C7H6N2O3 and the molecular weight is 166.13. It is a kind of beige crystalline powder and belongs to the classes of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Amides; Carbonyl Compounds; Organic Building Blocks. During using it, you should avoid contact with skin and eyes.
Physical properties about this chemical are: (1)ACD/LogP: -0.08; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 30; (5)ACD/KOC (pH 7.4): 30; (6)#H bond acceptors: 5; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 88.91 Å2; (10)Index of Refraction: 1.612; (11)Molar Refractivity: 41.729 cm3; (12)Molar Volume: 119.976 cm3; (13)Polarizability: 16.543 ×10-24cm3; (14)Surface Tension: 62.39 dyne/cm; (15)Density: 1.385 g/cm3; (16)Flash Point: 146.039 °C; (17)Enthalpy of Vaporization: 55.931 kJ/mol; (18)Boiling Point: 317.864 °C at 760 mmHg.
Preparation of 2-Nitrobenzamide: it can be prepared by 2-nitro-benzonitrile. This reaction will need reagents Al2O3 and MeSO3H. The reaction time is 15 minutes at reaction temperature of 120 °C. The yield is about 90%.
Uses of 2-Nitrobenzamide: it can react with 2-iodo-thiophene to get 2-nitro-N-thiophen-2-yl-benzamide. This reaction will need reagents ethylenediamine, CuI and K3PO4, and solvent dioxane. The yield is about 52% by heating.
You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1ccccc1C(N)=O
(2)InChI: InChI=1/C7H6N2O3/c8-7(10)5-3-1-2-4-6(5)9(11)12/h1-4H,(H2,8,10)
(3)InChIKey: KLGQWSOYKYFBTR-UHFFFAOYAM
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
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mouse | LDLo | intraperitoneal | 500mg/kg (500mg/kg) | "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 215, 1954. |