The 3-(Diethylamino)phenol with CAS registry number of 91-68-9 is also known as Phenol, 3-(diethylamino)-. The IUPAC name and product name are the same. It belongs to product categories of Dye Intermediate; Organic Building Blocks; Oxygen Compounds; Phenols. Its EINECS registry number is 202-090-9. In addition, the formula is C10H15NO and the molecular weight is 165.23. This chemical is a white rhombus crystal and should be stored in sealed containers in cool, dry place.
Physical properties about 3-(Diethylamino)phenol are: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.72; (4)ACD/LogD (pH 7.4): 2.58; (5)ACD/BCF (pH 5.5): 7.28; (6)ACD/BCF (pH 7.4): 52.87; (7)ACD/KOC (pH 5.5): 79.97; (8)ACD/KOC (pH 7.4): 580.42; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.564; (13)Molar Refractivity: 51.71 cm3; (14)Molar Volume: 158.8 cm3; (15)Surface Tension: 41.7 dyne/cm; (16)Density: 1.04 g/cm3; (17)Flash Point: 139.1 °C; (18)Enthalpy of Vaporization: 53.74 kJ/mol; (19)Boiling Point: 278 °C at 760 mmHg; (20)Vapour Pressure: 0.00259 mmHg at 25 °C.
Preparation of 3-(Diethylamino)phenol: it is prepared by reaction of N,N-diethyl-aniline. This reaction needs reagents H2O2, SbF5-HF at -20 °C for 15 minutes. The yield is about 45%.
Uses of 3-(Diethylamino)phenol: it is used for organic synthesis. For example, it is used to produce methyl-carbamic acid-(3-diethylamino-phenyl ester) by reaction with isocyanatomethane. The reaction occurs with reagent triethylamine and solvent tetrahydrofuran for 1 hour. The yield is about 82%.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. Besides, it is toxic if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. Do not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If accident happens or you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCN(CC)C1=CC(=CC=C1)O
2. InChI: InChI=1S/C10H15NO/c1-3-11(4-2)9-6-5-7-10(12)8-9/h5-8,12H,3-4H2,1-2H3
3. InChIKey: WAVOOWVINKGEHS-UHFFFAOYSA-N
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