3,4-Diethoxyaniline supplier | CasNO.39052-12-5

Name
3,4-Diethoxyaniline
EINECS 200-589-5
CAS No. 39052-12-5
Density 1.049 g/cm³
Solubility
Melting Point 48°C
Formula C₁₀H₁₅NO₂
Boiling Point 294.5 °C at 760 mmHg
Molecular Weight 181.235
Flash Point 143.6 °C
Transport Information
Appearance red-brown solid
Safety
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms Aniline,3,4-diethoxy- (6CI);
PSA 44.48000
LogP 2.64740

3,4-Diethoxyaniline Specification

The CAS register number of 3,4-Diethoxyaniline is39052-12-5. It also can be called as Benzenamine,3,4-diethoxy- and the IUPAC name about this chemical is 3,4-diethoxyaniline.

Physical properties about 3,4-Diethoxyaniline are: (1)ACD/LogP: 1.61; (2)ACD/LogD (pH 5.5): 1.52; (3)ACD/LogD (pH 7.4): 1.61; (4)ACD/BCF (pH 5.5): 7.96; (5)ACD/BCF (pH 7.4): 9.85; (6)ACD/KOC (pH 5.5): 144.39; (7)ACD/KOC (pH 7.4): 178.82; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 21.7Å²; (12)Index of Refraction: 1.527; (13)Molar Refractivity: 53.11 cm³; (14)Molar Volume: 172.7 cm³; (15)Polarizability: 21.05x10^-24cm³; (16)Surface Tension: 37 dyne/cm; (17)Enthalpy of Vaporization: 53.41 kJ/mol; (18)Boiling Point: 294.5 °C at 760 mmHg; (19)Vapour Pressure: 0.00162 mmHg at 25°C.

Uses of 3,4-Diethoxyaniline: it can be used to produce 2,3-dibromo-N-(3,4-diethoxy-phenyl)-propionamide with 2,3-dibromo-propionyl chloride. This reaction will need reagent NaOAc*3H₂O and solvent acetic acid, H₂O with reaction time of 30 min. The yield is about 65%.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cc(ccc1OCC)N)CC
(2)InChI: InChI=1/C10H15NO2/c1-3-12-9-6-5-8(11)7-10(9)13-4-2/h5-7H,3-4,11H2,1-2H3
(3)InChIKey: IKYZLUAAOLUOFW-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C10H15NO2/c1-3-12-9-6-5-8(11)7-10(9)13-4-2/h5-7H,3-4,11H2,1-2H3
(5)Std. InChIKey: IKYZLUAAOLUOFW-UHFFFAOYSA-N

Product Name

3,4-Diethoxyaniline

3,4-Diethoxyaniline Specification

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