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N-Ethylaniline

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Name

N-Ethylaniline

EINECS 203-135-5
CAS No. 103-69-5 Density 0.963 g/cm3
PSA 12.03000 LogP 2.19140
Solubility Water: 50 g/L (20 °C) Melting Point - 63 °C
Formula C8H11N Boiling Point 201.7 °C at 760 mmHg
Molecular Weight 121.182 Flash Point 85 °C
Transport Information UN 2272 6.1/PG 3 Appearance yellow liquid
Safety 28-37-45-28A Risk Codes 23/24/25-33
Molecular Structure Molecular Structure of 103-69-5 (N-Ethylaniline) Hazard Symbols ToxicT
Synonyms

Aniline,N-ethyl- (8CI);Anilinoethane;Ethylaniline;Ethylphenylamine;N-Ethyl-N-phenylamine;N-Ethylaminobenzene;N-Ethylbenzenamine;NSC 8736;

Article Data 466

N-Ethylaniline Consensus Reports

Reported in EPA TSCA Inventory.

N-Ethylaniline Standards and Recommendations

DOT Classification:  6.1; Label: KEEP AWAY FROM FOOD

N-Ethylaniline 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%.

N-Ethylaniline is used to produce N-ethyl-N-benzyl-aniline by reaction with benzoic acid.

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.

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