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| CAS No.: | 938-73-8 |
|---|---|
| Name: | 2-Ethoxybenzamide |
| Molecular Structure: | |
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| Formula: | C9H11NO2 |
| Molecular Weight: | 165.192 |
| Synonyms: | Ethenzamide;o-Ethoxybenzamide; |
| EINECS: | 213-346-4 |
| Density: | 1.111 g/cm3 |
| Melting Point: | 129-134 °C |
| Boiling Point: | 302 °C at 760 mmHg |
| Flash Point: | 153.7 °C |
| Solubility: | < 0.1 g/100 mL at 16 °C in water |
| Appearance: | white to almost white granular crystalline powder |
| Safety: | 24/25 |
| PSA: | 52.32000 |
| LogP: | 1.88450 |
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Specification
The Ethenzamide, with the CAS registry number 938-73-8 and EINECS registry number 213-346-4, has the systematic name of 2-ethoxybenzamide. And the molecular formula of this chemical is C9H11NO2. It is a kind of white to almost white granular crystalline powder, and belongs to the following product categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; API's; Amides; Carbonyl Compounds; Organic Building Blocks.
The Ethenzamide is a common analgesic and anti-inflammatory drug, and used for the relief of fever, headaches, and other minor aches and pains. It is a major ingredient in numerous cold and flu medications and many prescription analgesics. What's more, it is insoluble in water. In addition, while dealing with this chemical, you should avoid contacting with skin and eyes.
The physical properties of Ethenzamide are as following: (1)ACD/LogP: 1.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.4; (4)ACD/LogD (pH 7.4): 1.4; (5)ACD/BCF (pH 5.5): 6.84; (6)ACD/BCF (pH 7.4): 6.84; (7)ACD/KOC (pH 5.5): 137.83; (8)ACD/KOC (pH 7.4): 137.83; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 46.49 cm3; (15)Molar Volume: 148.6 cm3; (16)Polarizability: 18.43×10-24cm3; (17)Surface Tension: 41.8 dyne/cm; (18)Density: 1.111 g/cm3; (19)Flash Point: 153.7 °C; (20)Enthalpy of Vaporization: 54.21 kJ/mol; (21)Boiling Point: 302 °C at 760 mmHg; (22)Vapour Pressure: 0.00102 mmHg at 25°C.
Preparation of Ethenzamide: It can be prepared by thylization of salicylamide with bromoethane. The reaction will need reagent aq. NaOH, and the solvent ethanol. The reaction time is 12 hours with heating, and the yield is about 20%.
Uses of Ethenzamide: It can react with methanol to produce 2-ethoxy-benzoic acid amide. This reaction will need reagents 1,3-dibromo-5,5-dimethylhydantoin and AgOAc, and the solvent dimethylformamide. The reaction time is 12 hours, and the yield is about 100%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1OCC)N
(2)InChI: InChI=1/C9H11NO2/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H2,10,11)
(3)InChIKey: SBNKFTQSBPKMBZ-UHFFFAOYAN
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 400mg/kg (400mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Journal of Pharmacy and Pharmacology. Vol. 4, Pg. 872, 1952. |
| mouse | LD50 | oral | 700mg/kg (700mg/kg) | Therapie. Vol. 7, Pg. 27, 1952. | |
| rabbit | LDLo | oral | 1500mg/kg (1500mg/kg) | BEHAVIORAL: SLEEP LUNGS, THORAX, OR RESPIRATION: DYSPNEA CARDIAC: OTHER CHANGES | Arzneimittel-Forschung. Drug Research. Vol. 10, Pg. 820, 1960. |
| rat | LD50 | oral | 2200mg/kg (2200mg/kg) | French Demande Patent Document. Vol. #2418649, |