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| CAS No.: | 621-31-8 |
|---|---|
| Name: | 3-ETHYLAMINOPHENOL |
| Molecular Structure: | |
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| Formula: | C8H11NO |
| Molecular Weight: | 137.181 |
| Synonyms: | Phenol,m-(ethylamino)- (6CI,8CI);3-(Ethylamino)phenol;N-Ethyl-m-aminophenol;m-(Ethylamino)phenol;3-Hydroxyphenylethylamine; |
| EINECS: | 210-678-1 |
| Density: | 1.107 g/cm3 |
| Melting Point: | 62°C |
| Boiling Point: | 282 °C at 760 mmHg |
| Flash Point: | 147.2 °C |
| Solubility: | Slightly soluble in water |
| Appearance: | Very viscous deep orange liquid |
| Risk Codes: | 34 |
| Safety: | 26-36/37/39 |
| PSA: | 32.26000 |
| LogP: | 1.89700 |
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Specification
The Phenol, 3-(ethylamino)-, with the CAS registry number 621-31-8, is also known as N-Ethyl-m-aminophenol. This chemical's molecular formula is C8H11NO and molecular weight is 137.18. What's more, its systematic name is 3-(Ethylamino)phenol and its EINECS number is 210-678-1. Besides, its classification code is Mutation data.
Physical properties of Phenol, 3-(ethylamino)- are: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.73; (4)ACD/LogD (pH 7.4): 1.77; (5)ACD/BCF (pH 5.5): 11.85; (6)ACD/BCF (pH 7.4): 13.08; (7)ACD/KOC (pH 5.5): 198.42; (8)ACD/KOC (pH 7.4): 219.03; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 42.37 cm3; (15)Molar Volume: 123.8 cm3; (16)Polarizability: 16.79×10-24 cm3; (17)Surface Tension: 45.1 dyne/cm; (18)Density: 1.107 g/cm3; (19)Flash Point: 147.2 °C; (20)Enthalpy of Vaporization: 54.17 kJ/mol; (21)Boiling Point: 282 °C at 760 mmHg; (22)Vapour Pressure: 0.00202 mmHg at 25°C.
Preparation: this chemical can be prepared by iodoethane and 3-amino-phenol at the temperature of 100 °C. This reaction will need reagent potassium carbonate and solvent dimethylformamide with the reaction time of 2 hours. The yield is about 85%.
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Uses of Phenol, 3-(ethylamino)-: it can be used to produce 7-(Ethylamino)-4-(trifluoromethyl)coumarin by heating. It will need reagent ZnCl2 and solvent ethanol with the reaction time of 12 hours. The yield is about 58%.
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When you are using this chemical, please be cautious about it as the following:
It causes burns. 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.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cccc(NCC)c1
(2)InChI: InChI=1/C8H11NO/c1-2-9-7-4-3-5-8(10)6-7/h3-6,9-10H,2H2,1H3
(3)InChIKey: TVKZDKSHNITMRZ-UHFFFAOYSA-N