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2-Ethylaniline

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Name

2-Ethylaniline

EINECS 209-424-2
CAS No. 578-54-1 Density 0.973 g/cm3
PSA 26.02000 LogP 2.41240
Solubility insoluble in water Melting Point -44 °C
Formula C8H11N Boiling Point 212.3 °C at 760 mmHg
Molecular Weight 121.182 Flash Point 87.9 °C
Transport Information UN 2273 6.1/PG 3 Appearance clear yellow to red-brownish liquid
Safety 36/37/39-45 Risk Codes 36/37/38-33-23/24/25
Molecular Structure Molecular Structure of 578-54-1 (2-Ethylaniline) Hazard Symbols ToxicT
Synonyms

Aniline,o-ethyl- (8CI);2-Ethylaniline;2-Ethylbenzenamine;2-Ethylphenylamine;NSC62014;o-Aminoethylbenzene;o-Ethylaniline;

Article Data 100

2-Ethylaniline Synthetic route

1821-38-1

N-methyl ortho-ethylaniline

578-54-1

ortho-ethylaniline

Conditions
ConditionsYield
With dichloro(dimethylglyoxime)(dimethylglyoximato)cobalt(III); (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; triethylamine In acetonitrile at -78℃; for 24h; Reagent/catalyst; Sealed tube; Inert atmosphere; Irradiation;100%
612-22-6

2-nitro(ethylbenzene)

578-54-1

ortho-ethylaniline

Conditions
ConditionsYield
With hydrogen In methanol at 20℃; under 750.075 Torr; for 1h; chemoselective reaction;99.6%
With hydrogen; Pd in AV-17-8-Pd In ethanol at 40℃;98%
With hydrogen; Pd in AV-17-8-Pd In ethanol at 40℃; under 760 Torr; Rate constant;98%
35774-47-1

1-azido-2-ethylbenzene

578-54-1

ortho-ethylaniline

Conditions
ConditionsYield
With iron In water at 20℃; Inert atmosphere;90%
612-22-6

2-nitro(ethylbenzene)

A

578-54-1

ortho-ethylaniline

B

64287-80-5

Bis(2-ethylphenyl)diazene 1-oxide

Conditions
ConditionsYield
With ammonium chloride; zinc In water at 80℃; for 24h; Catalytic behavior; Inert atmosphere;A 8%
B 84%
74-84-0

ethane

62-53-3

aniline

A

578-54-1

ortho-ethylaniline

B

589-16-2

4-aminoethylbenzene

Conditions
ConditionsYield
In gaseous matrix at 80℃; Irradiation;A 82%
B 18 % Spectr.
In gaseous matrix at 80℃; Irradiation;A 82 % Spectr.
B n/a
155690-08-7

2-p-Tolyl-3H,4H-2λ4-benzo[c][1,2]thiazine 2-oxide

578-54-1

ortho-ethylaniline

Conditions
ConditionsYield
With disodium hydrogenphosphate; sodium amalgam In tetrahydrofuran; methanol for 18h; Ambient temperature;81%
89-96-3

1-chloro-2-ethylbenzene

578-54-1

ortho-ethylaniline

Conditions
ConditionsYield
With ammonium sulfate; bis(1,5-cyclooctadiene)nickel (0); sodium t-butanolate at 100 - 110℃; for 12h;79%
1973-22-4

1-bromo-2-ethylbenzene

578-54-1

ortho-ethylaniline

Conditions
ConditionsYield
With ammonium sulfate; (R)-(-)-1-[(SP)-2-(dicyclohexylphosphino)ferrocenyl]ethyldi-tert-butylphosphine; bis(tri-ortho-tolylphosphine)palladium(0); sodium t-butanolate In 1,4-dioxane at 100℃; for 8h; Inert atmosphere; Glovebox;76%
52670-38-9

2-ethynylaniline

578-54-1

ortho-ethylaniline

Conditions
ConditionsYield
With [Fe(nacnac)dippCH2SiMe3]; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane In benzene-d6 at 20℃; for 0.5h; Sealed tube; Inert atmosphere; Schlenk technique; Glovebox;74%
With palladium diacetate; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane In dichloromethane at 25℃; for 12h; Sealed tube; Inert atmosphere; chemoselective reaction;42%
109-72-8, 29786-93-4

n-butyllithium

35774-47-1

1-azido-2-ethylbenzene

A

578-54-1

ortho-ethylaniline

B

204926-79-4

N-butyl-2-ethylphenylamine

Conditions
ConditionsYield
In tetrahydrofuran at -78 - 20℃; for 3h;A 69%
B 8%

2-Ethylaniline Consensus Reports

Reported in EPA TSCA Inventory.

2-Ethylaniline Standards and Recommendations

DOT Classification:  6.1; Label: KEEP AWAY FROM FOOD

2-Ethylaniline Specification

The Benzenamine, 2-ethyl-, with the CAS registry number 578-54-1, is also known as 2-Ethylbenzenamine. It belongs to the product categories of Amines; C8; Nitrogen Compounds. Its EINECS number is 209-424-2. This chemical's molecular formula is C8H11N and molecular weight is 121.18. What's more, its systematic name is 2-ethylaniline. It is an important pesticides, dyes and pharmaceutical intermediates, which is also a key synthetic intermediate of new pesticides. Its storage temperature is -20°C.

Physical properties of Benzenamine, 2-ethyl- are: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.9; (4)ACD/LogD (pH 7.4): 1.93; (5)ACD/BCF (pH 5.5): 16.01; (6)ACD/BCF (pH 7.4): 17.16; (7)ACD/KOC (pH 5.5): 248.38; (8)ACD/KOC (pH 7.4): 266.23; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.02 Å2; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 40.03 cm3; (15)Molar Volume: 124.5 cm3; (16)Polarizability: 15.87×10-24cm3; (17)Surface Tension: 38.2 dyne/cm; (18)Density: 0.973 g/cm3; (19)Flash Point: 87.9 °C; (20)Enthalpy of Vaporization: 44.86 kJ/mol; (21)Boiling Point: 212.3 °C at 760 mmHg; (22)Vapour Pressure: 0.174 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-ethyl-2-nitro-benzene at the temperature of 40 °C. This reaction will need reagent H2 and solvent ethanol. This reaction will also need catalyst 1% Pd in AV-17-8-Pd. The yield is about 98%.

Benzenamine, 2-ethyl- can be prepared by 1-ethyl-2-nitro-benzene at the temperature of 40 °C

Uses of Benzenamine, 2-ethyl-: it can be used to produce 2-(2-ethyl-phenylamino)-isophthalic acid by heating. It will need reagent N-ethylmorpholine and solvents benzene, various solvent(s) with the reaction time of 1 hour. This reaction will also need catalyst CuCl. The yield is about 65%.

Benzenamine, 2-ethyl- can be used to produce 2-(2-ethyl-phenylamino)-isophthalic acid by heating

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. It has the danger of cumulative effects. 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 must seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: CCc1ccccc1N
(2)Std. InChI: InChI=1S/C8H11N/c1-2-7-5-3-4-6-8(7)9/h3-6H,2,9H2,1H3
(3)Std. InChIKey: MLPVBIWIRCKMJV-UHFFFAOYSA-N

The toxicity data is as follows:  

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 750mg/kg (750mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
rat LD50 oral 1260mg/kg (1260mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BLOOD: CHANGES IN SPLEEN
Toxicology and Applied Pharmacology. Vol. 22, Pg. 153, 1972.

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