94-44-0
Benzyl nicotinate
CAS: 94-44-0
Molecular Formula: C13H11NO2
94-44-0 - Names and Identifiers
| Name | Benzyl nicotinate |
| Synonyms | niacinbenzylester Benzyl nicotinate Benzyl nicotinate Niacin benzyl ester Nicotinic acid benzyl ester benzylpyridine-3-carboxylate Benzyl pyridine-3-carboxylate benzyl pyridine-3-carboxylate Benzyl pyridine-3-carboxylate 2-benzylpyridine-3-carboxylate estrubenzylowegokwasunikotynowego Estru benzylowego kwasu nikotynowego 3-Pyridinecarboxylicacid,phenylmethylester 3-Pyridinecarboxylic acid, phenylmethyl ester |
| CAS | 94-44-0 |
| EINECS | 202-332-3 |
| InChI | InChI=1/C13H11NO2/c15-13(16)11-7-4-8-14-12(11)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,15,16)/p-1 |
94-44-0 - Physico-chemical Properties
| Molecular Formula | C13H11NO2 |
| Molar Mass | 213.23 |
| Density | 1,1165 g/cm3 |
| Melting Point | 24 °C (lit.) |
| Boling Point | 177 °C/8 mmHg (lit.) |
| Flash Point | 170°C |
| Solubility | Chloroform (Sparingly), Methanol (Slightly) |
| Vapor Presure | 0mmHg at 25°C |
| Appearance | neat |
| Color | Colourless to Light Beige |
| Merck | 14,6526 |
| BRN | 159169 |
| pKa | 3.16±0.10(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.570 |
94-44-0 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/38 - Irritating to eyes and skin. |
| Safety Description | 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| WGK Germany | 2 |
| RTECS | QT0850000 |
| FLUKA BRAND F CODES | 8 |
| TSCA | Yes |
94-44-0 - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| trait | yellowish brown to brown viscous liquid with slightly specific odor. |
| confirmation test | (1) after mixing 1.0G of benzyl nicotinate with 2, 4-dinitrochlorobenzene (2G), take 10 mg, heat melting, cold, add potassium hydroxide-ethanol solution 3 ml, the liquid is red ~ purple red. (2) add 25 ml of potassium hydroxide-ethanol solution to 2g of the product, install the reflux cooler, heat for 10 minutes, and then carefully heat and concentrate to about 5 ml on a water bath. After cooling, 15 ml of water and 15 ml of ether were mixed by shaking, transferred to a separatory funnel and mixed well by shaking. The ether layer was separated, and 15 ml of water and 15 ml of ether were added to the aqueous layer, and the ether layers were combined by shaking and mixing. Ether was carefully distilled off on a water bath. 1 drop of residue was taken, 1ml of sodium carbonate test solution and 1ml of potassium permanganate test solution were added, and benzaldehyde-like odor was generated when heated. (3) Take (2) 5ml of the water layer, add dilute sulfuric acid neutralization, add copper sulfate test solution 1 ml when placed, resulting in a blue precipitate. |
| purity test | (1) [dissolved form] when g of benzyl nicotinate was added to 10ml of ethanol to dissolve, the liquid was clear. (2) [acid] 1.0g of this product is dissolved with 10 ml of neutralized ethanol, and the liquid is red when 2 drops of phenolphthalein test solution and 0.80ml of 0.1N sodium hydroxide solution are added. (3) [heavy metal] take this product 2.0g, according to the second method of operation, test, its limit is below 10ppm. 2.0 of lead standard solution was used for comparison. (4) [arsenic] take 1.0g of this product, prepare the test solution according to the third method, and when the test is carried out by the method of device A, the limit is less than 2 ppm. |
| quantitative method | accurately weigh about 2g of this product, add 0.5N potassium hydroxide-ethanol solution 25ml correctly, and install reflux cooler, heat for 1 H on a water bath. The excess potassium hydroxide was then titrated with 0.5n hydrochloric acid (indicator: phenolphthalein 2 drops). The blank test was performed in the same manner. 0.5N hydrochloric acid 1ml = 106.62 mgc13h11no2 |
| Use | pharmaceutical intermediates |
Last Update：2024-04-09 21:11:58
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