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| CAS No.: | 103-69-5 |
|---|---|
| Name: | N-Ethylaniline |
| Article Data: | 466 |
| Molecular Structure: | |
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|
|
| Formula: | C8H11N |
| Molecular Weight: | 121.182 |
| Synonyms: | Aniline,N-ethyl- (8CI);Anilinoethane;Ethylaniline;Ethylphenylamine;N-Ethyl-N-phenylamine;N-Ethylaminobenzene;N-Ethylbenzenamine;NSC 8736; |
| EINECS: | 203-135-5 |
| Density: | 0.963 g/cm3 |
| Melting Point: | - 63 °C |
| Boiling Point: | 201.7 °C at 760 mmHg |
| Flash Point: | 85 °C |
| Solubility: | Water: 50 g/L (20 °C) |
| Appearance: | yellow liquid |
| Hazard Symbols: |
 T
|
| Risk Codes: | 23/24/25-33 |
| Safety: | 28-37-45-28A |
| Transport Information: | UN 2272 6.1/PG 3 |
| PSA: | 12.03000 |
| LogP: | 2.19140 |
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Specification
The N-Ethylaniline with CAS registry number of 103-69-5 is also known as Benzenamine,N-ethyl-. The IUPAC name and product name are the same. It belongs to product categories of Intermediates of Dyes and Pigments. Its EINECS registry number is 203-135-5. In addition, the formula is C8H11N and the molecular weight is 121.18. This chemical is a yellow liquid that miscible with alcohol, ether. It at low levels causes damage to health and should be sealed in ventilated, cool place away from fire, heat without light. What's more, this chemical can be used as pesticide and dye intermediates, rubber promoting agent and also used in organic synthesis.
Physical properties about N-Ethylaniline are: (1)ACD/LogP: 2.13; (2)ACD/LogD (pH 5.5): 1.98; (3)ACD/LogD (pH 7.4): 2.12; (4)ACD/BCF (pH 5.5): 17.2; (5)ACD/BCF (pH 7.4): 24.21; (6)ACD/KOC (pH 5.5): 241.62; (7)ACD/KOC (pH 7.4): 340.12; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.559; (12)Molar Refractivity: 40.49 cm3; (13)Molar Volume: 125.3 cm3; (14)Surface Tension: 35.4 dyne/cm; (15)Density: 0.966 g/cm3; (16)Flash Point: 85 °C; (17)Enthalpy of Vaporization: 43.79 kJ/mol; (18)Boiling Point: 201.7 °C at 760 mmHg; (19)Vapour Pressure: 0.304 mmHg at 25 °C.
Preparation of N-Ethylaniline: it is prepared by reaction of aniline, ethanol, and phosphorus trichloride. The reaction occurs at the temperature of 300 °C with the reaction pressure of 9.84 MPa. Product is obtained by vacuum distillation.
Uses of N-Ethylaniline: it is used to produce N-ethyl-N-benzyl-aniline by reaction with benzoic acid. The reaction occurs with reagent trimethylamine-borane and solvent xylene with other condition of heating for 7 hours. The yield is about 99%.
When you are using this chemical, please be cautious about it. As a chemical, it is toxic by inhalation, in contact with skin and if swallowed. Besides, it has danger of cumulative effects. During using it, wear suitable gloves. After contact with skin, wash immediately. In case of accident or if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCNC1=CC=CC=C1
2. InChI: InChI=1S/C8H11N/c1-2-9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
3. InChIKey: OJGMBLNIHDZDGS-UHFFFAOYSA-
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mammal (species unspecified) | LD50 | unreported | 600mg/kg (600mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 48(6), Pg. 22, 1983. | |
| mouse | LD50 | intraperitoneal | 242mg/kg (242mg/kg) | Yakugaku Zasshi. Journal of Pharmacy. Vol. 97, Pg. 1117, 1977. | |
| rat | LC50 | inhalation | > 1130mg/m3/4H (1130mg/m3) | United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0282-0429, | |
| rat | LD50 | intraperitoneal | 180mg/kg (180mg/kg) | Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 15, Pg. 447, 1957. | |
| rat | LD50 | skin | 4700mg/kg (4700mg/kg) | Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 15, Pg. 447, 1957. |