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| CAS No.: | 84100-15-2 |
|---|---|
| Name: | NAPHTHOL AS-E ACETATE |
| Molecular Structure: | |
|
|
|
| Formula: | C19H14ClNO3 |
| Molecular Weight: | 339.77 |
| Synonyms: | 2-Naphthanilide,4'-chloro-3-hydroxy-, acetate (6CI);3-[(4-Chlorophenyl)carbamoyl]naphthalen-2-yl acetate;2-(N-(p-Chlorophenyl)carbamoyl)-3-naphthyl acetate; |
| EINECS: | 282-097-1 |
| Density: | 1.355 g/cm3 |
| Boiling Point: | 582.2 °C at 760 mmHg |
| Flash Point: | 305.9 °C |
| Solubility: | Slightly soluble in methanol |
| Appearance: | Tan powder |
| Hazard Symbols: |
 F, C
|
| Risk Codes: | 11-34 |
| Safety: | 16-26-36/37/39-45 |
| PSA: | 55.40000 |
| LogP: | 4.74380 |
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Specification
The 2-Naphthalenecarboxamide,3-(acetyloxy)-N-(4-chlorophenyl)-, with the CAS registry number 84100-15-2, is also known as 2-(N-(p-Chlorophenyl)carbamoyl)-3-naphthyl acetate. It belongs to the product category of Substrates. Its EINECS number is 282-097-1. This chemical's molecular formula is C19H14ClNO3 and molecular weight is 339.77. What's more, its systematic name is 3-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl acetate.
Physical properties of 2-Naphthalenecarboxamide,3-(acetyloxy)-N-(4-chlorophenyl)- are: (1)ACD/LogP: 3.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.79; (4)ACD/LogD (pH 7.4): 3.79; (5)ACD/BCF (pH 5.5): 449.19; (6)ACD/BCF (pH 7.4): 449.17; (7)ACD/KOC (pH 5.5): 2755.57; (8)ACD/KOC (pH 7.4): 2755.46; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 94.9 cm3; (15)Molar Volume: 251.9 cm3; (16)Polarizability: 37.62×10-24cm3; (17)Surface Tension: 55.5 dyne/cm; (18)Density: 1.348 g/cm3; (19)Flash Point: 224.7 °C; (20)Enthalpy of Vaporization: 70.63 kJ/mol; (21)Boiling Point: 447.9 °C at 760 mmHg; (22)Vapour Pressure: 3.25E-08 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable, so you should keep it away from sources of ignition - No smoking. It can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you need seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: Clc3ccc(NC(=O)c2cc1ccccc1cc2OC(=O)C)cc3
(2)InChI: InChI=1S/C19H14ClNO3/c1-12(22)24-18-11-14-5-3-2-4-13(14)10-17(18)19(23)21-16-8-6-15(20)7-9-16/h2-11H,1H3,(H,21,23)
(3)InChIKey: INHDDLDQONYNHO-UHFFFAOYSA-N