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CAS No.: | 19249-34-4 |
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Name: | N,N-Diacetoxyethylaniline |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C14H19NO4 |
Molecular Weight: | 265.309 |
Synonyms: | Ethanol,2,2'-(phenylimino)bis-, diacetate (ester) (9CI);Ethanol,2,2'-(phenylimino)di-, diacetate (6CI);Ethanol, 2,2'-(phenylimino)di-,diacetate (ester) (8CI);Bis(2-acetoxyethyl)aniline;Diacetyl-N-phenyldiethanolamine;N,N-Bis(2-acetoxyethyl)aniline;N,N-Bis(2-acetyloxyethyl)aniline;N,N-Bis(2-hydroxyethyl)aniline diacetate;N,N-Bis(acetoxyethyl)aniline;N,N-Bis(b-acetoxyethyl)aniline;N,N-Di(2-acetoxyethyl)aniline;N,N-Di(b-acetoxyethyl)aniline;O,O'-Diacetyl-N-phenyldiethanolamine; |
EINECS: | 242-918-6 |
Density: | 1.137 g/cm3 |
Boiling Point: | 372.32 °C at 760 mmHg |
Flash Point: | 178.973 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-41 |
Safety: | 26-36/39 |
PSA: | 55.84000 |
LogP: | 1.61920 |
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The Ethanol,2,2'-(phenylimino)bis-, 1,1'-diacetate, with CAS registry number 19249-34-4, belongs to the following product category: Intermediates of Dyes and Pigments. It has the systematic name of (phenylimino)diethane-2,1-diyl diacetate. What's more, its EINECS is 242-918-6.
Physical properties of Ethanol,2,2'-(phenylimino)bis-, 1,1'-diacetate: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.17; (4)ACD/LogD (pH 7.4): 2.25; (5)ACD/BCF (pH 5.5): 25.18; (6)ACD/BCF (pH 7.4): 30.04; (7)ACD/KOC (pH 5.5): 332.97; (8)ACD/KOC (pH 7.4): 397.27; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 71.91 cm3; (15)Molar Volume: 233.4 cm3; (16)Polarizability: 28.5×10-24cm3; (17)Surface Tension: 42.9 dyne/cm; (18)Enthalpy of Vaporization: 61.94 kJ/mol; (19)Vapour Pressure: 9.7E-06 mmHg at 25°C.
Preparation: this chemical can be prepared by 2,2'-phenylazanediyl-bis-ethanol and acetic acid anhydride. This reaction will need reagent pyridine and solvent CH2Cl2. The reaction time is 1 day. The yield is about 83%.
Uses of Ethanol,2,2'-(phenylimino)bis-, 1,1'-diacetate: it can be used to produce acetic acid 2-[(2-acetoxy-ethyl)-(4-bromo-phenyl)-amino]-ethyl ester. This reaction will need reagents Br2, Et4NCl, MeOH and solvent CH2Cl2. The reaction temperature is 35 ℃. The yield is about 99%.
When you are using this chemical, please be cautious about it as the following:
The Ethanol,2,2'-(phenylimino)bis-, 1,1'-diacetate is harmful if swallowed. And this chemical has risk of serious damage to the eyes. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCN(c1ccccc1)CCOC(=O)C)C
(2)InChI: InChI=1/C14H19NO4/c1-12(16)18-10-8-15(9-11-19-13(2)17)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3
(3)InChIKey: XQGHEXBVXWBMGC-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C14H19NO4/c1-12(16)18-10-8-15(9-11-19-13(2)17)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3
(5)Std. InChIKey: XQGHEXBVXWBMGC-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD50 | oral | 2150mg/kg (2150mg/kg) | Archives of Toxicology. Vol. 54, Pg. 275, 1983. |