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The Ethanol,2-(ethylphenylamino)-, with CAS registry number 92-50-2, belongs to the following product categories: (1)Intermediates of Dyes and Pigments; (2)Amino Alcohols; (3)Organic Building Blocks; (4)Oxygen Compounds. It has the systematic name of 2-[ethyl(phenyl)amino]ethanol. This chemical is a kind of clear yellow liquid after melting. What's more, its EINECS is 202-160-9.
Physical properties of Ethanol,2-(ethylphenylamino)-: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.47; (4)ACD/LogD (pH 7.4): 2.08; (5)ACD/BCF (pH 5.5): 5.4; (6)ACD/BCF (pH 7.4): 22.31; (7)ACD/KOC (pH 5.5): 76.89; (8)ACD/KOC (pH 7.4): 317.52; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 51.36 cm3; (15)Molar Volume: 157.9 cm3; (16)Polarizability: 20.36×10-24cm3; (17)Surface Tension: 43.4 dyne/cm; (18)Enthalpy of Vaporization: 54.62 kJ/mol; (19)Vapour Pressure: 0.00204 mmHg at 25°C.
Uses of Ethanol,2-(ethylphenylamino)-: it can be used to produce 1-bromo-4-[N-ethyl, N-(2-hydroxyethyl)amino]benzene. This reaction will need reagents Bu4NBr, Br2, MeOH and solvent CH2Cl2. The yield is about 88%.
When you are using this chemical, please be cautious about it as the following:
The Trimesic acid irritates to eyes, respiratory system and skin. This chemical is harmful if swallowed. 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: OCCN(c1ccccc1)CC
(2)InChI: InChI=1/C10H15NO/c1-2-11(8-9-12)10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3
(3)InChIKey: HYVGFUIWHXLVNV-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C10H15NO/c1-2-11(8-9-12)10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3
(5)Std. InChIKey: HYVGFUIWHXLVNV-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 2360mg/kg (2360mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(1), Pg. 50, 1986. | |
rat | LD50 | oral | 1640mg/kg (1640mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(1), Pg. 50, 1986. |