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| CAS No.: | 94-85-9 |
|---|---|
| Name: | 2,5-Diethoxyaniline |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C10H15NO2 |
| Molecular Weight: | 181.235 |
| Synonyms: | Aniline,2,5-diethoxy- (6CI,7CI,8CI);2,5-Diethoxybenzenamine;NSC7486; |
| EINECS: | 202-369-5 |
| Density: | 1.049 g/cm3 |
| Melting Point: | 85-88 °C(lit.) |
| Boiling Point: | 304 °C at 760 mmHg |
| Flash Point: | 150.1 °C |
| Appearance: | Light Brown Crystals |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 44.48000 |
| LogP: | 2.64740 |
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Specification
The Benzenamine,2,5-diethoxy-, with CAS registry number 94-85-9, belongs to the following product categories: (1)Anilines, Aromatic Amines and Nitro Compounds; (2)Amines; (3)C9 to C10; (4)Nitrogen Compounds. It has the systematic name of 2,5-diethoxyaniline. And the chemical formula of this chemical is C10H15NO2. What's more, its EINECS is 202-369-5. The main use of this chemical is for organic synthesis.
Physical properties of Benzenamine,2,5-diethoxy-: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.09; (4)ACD/LogD (pH 7.4): 2.1; (5)ACD/BCF (pH 5.5): 22.45; (6)ACD/BCF (pH 7.4): 23.35; (7)ACD/KOC (pH 5.5): 319.13; (8)ACD/KOC (pH 7.4): 331.9; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 53.11 cm3; (15)Molar Volume: 172.7 cm3; (16)Polarizability: 21.05×10-24cm3; (17)Surface Tension: 37 dyne/cm; (18)Density: 1.049 g/cm3; (19)Flash Point: 150.1 °C; (20)Enthalpy of Vaporization: 54.43 kJ/mol; (21)Boiling Point: 304 °C at 760 mmHg; (22)Vapour Pressure: 0.0009 mmHg at 25°C.
Preparation: this chemical can be prepared by 1,4-diethoxy-2-nitro-benzene. This reaction will need reagents cyclohexene, palladium/charcoal.
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When you are using this chemical, please be cautious about it as the following:
The Benzenamine,2,5-diethoxy- irritates to eyes, respiratory system and skin. 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: O(c1ccc(OCC)cc1N)CC
(2)InChI: InChI=1/C10H15NO2/c1-3-12-8-5-6-10(13-4-2)9(11)7-8/h5-7H,3-4,11H2,1-2H3
(3)InChIKey: XPKFTIYOZUJAGA-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C10H15NO2/c1-3-12-8-5-6-10(13-4-2)9(11)7-8/h5-7H,3-4,11H2,1-2H3
(5)Std. InChIKey: XPKFTIYOZUJAGA-UHFFFAOYSA-N