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| CAS No.: | 620-81-5 |
|---|---|
| Name: | Oxanilide |
| Molecular Structure: | |
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| Formula: | C14H12N2O2 |
| Molecular Weight: | 240.261 |
| Synonyms: | N,N'-Diphenyloxamide;N,N'-Diphenyloxalic acid diamide;N,N'-Diphenyloxalamide;NSC 4183;Oxalanilide;Ethanediamide,N,N'-diphenyl- (9CI);Oxanilide (6CI,7CI,8CI); |
| EINECS: | 210-653-5 |
| Density: | 1.309 g/cm3 |
| Melting Point: | 253-256 °C |
| Boiling Point: | 382.97°C (rough estimate) |
| Appearance: | white to off-white flaky powder |
| Safety: | 24/25 |
| PSA: | 58.20000 |
| LogP: | 2.40980 |
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Specification
The Oxanilide is an organic compound with the formula C14H12N2O2. The systematic name of this chemical is N,N'-diphenylethanediamide. With the CAS registry number 620-81-5, it is also named as Ethanediamide, N,N'-diphenyl-. Besides, it is a white to off-white flaky powder, which should be stored in a closed cool and dry place. It is used for organic synthesis and pharmaceuticals.
Physical properties about Oxanilide are: (1)ACD/LogP: 2.21; (2)ACD/LogD (pH 5.5): 2.21; (3)ACD/LogD (pH 7.4): 2.21; (4)ACD/BCF (pH 5.5): 28.24; (5)ACD/BCF (pH 7.4): 28.23; (6)ACD/KOC (pH 5.5): 380.32; (7)ACD/KOC (pH 7.4): 380.21; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 40.62 Å2; (12)Index of Refraction: 1.684; (13)Molar Refractivity: 69.73 cm3; (14)Molar Volume: 183.4 cm3; (15)Polarizability: 27.64×10-24cm3; (16)Surface Tension: 59.8 dyne/cm; (17)Density: 1.309 g/cm3.
Preparation: this chemical can be prepared by aniline and oxalyl dichloride. This reaction will need solvent tetrahydrofuran. The reaction time is 30 min. The yield is about 95%.
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Uses of Oxanilide: it can be used to produce bis(phenylimidoyl-1-benzotriazole) at temperature of 20 °C. It will need reagent SOCl2 and solvent benzene with reaction time of 4 hours. The yield is about 86%.
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You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccccc1)C(=O)Nc2ccccc2
(2)InChI: InChI=1/C14H12N2O2/c17-13(15-11-7-3-1-4-8-11)14(18)16-12-9-5-2-6-10-12/h1-10H,(H,15,17)(H,16,18)
(3)InChIKey: FTWUXYZHDFCGSV-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C14H12N2O2/c17-13(15-11-7-3-1-4-8-11)14(18)16-12-9-5-2-6-10-12/h1-10H,(H,15,17)(H,16,18)
(5)Std. InChIKey: FTWUXYZHDFCGSV-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD | intraperitoneal | > 10gm/kg (10000mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 27(3), Pg. 52, 1983. | |
| rat | LD | oral | > 10gm/kg (10000mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 27(3), Pg. 52, 1983. |