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| CAS No.: | 39065-91-3 |
|---|---|
| Name: | 3-(CHLORODIFLUOROMETHOXY)ANILINE |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C7H6ClF2NO |
| Molecular Weight: | 193.581 |
| Synonyms: | 3-(Difluorochloromethoxy)aniline; |
| Density: | 1.402 g/cm3 |
| Melting Point: | 69 °C |
| Boiling Point: | 237.2 °C at 760 mmHg |
| Flash Point: | 97.3 °C |
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 35.25000 |
| LogP: | 3.01790 |
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Specification
The Benzenamine,3-(chlorodifluoromethoxy)- is an organic compound with the formula C7H6ClF2NO. With the CAS registry number 39065-91-3, the systematic name of this chemical is 3-[chloro(difluoro)methoxy]aniline.
Physical properties about Benzenamine,3-(chlorodifluoromethoxy)- are: (1)ACD/LogP: 2.04; (2)ACD/LogD (pH 5.5): 2.04; (3)ACD/LogD (pH 7.4): 2.04; (4)#H bond acceptors: 2; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 3; (7)Polar Surface Area: 35.25 Å2; (8)Index of Refraction: 1.525; (9)Molar Refractivity: 42.3 cm3; (10)Molar Volume: 138 cm3; (11)Polarizability: 16.77×10-24cm3; (12)Surface Tension: 37.8 dyne/cm; (13)Density: 1.402 g/cm3; (14)Flash Point: 97.3 °C; (15)Enthalpy of Vaporization: 47.4 kJ/mol; (16)Boiling Point: 237.2 °C at 760 mmHg; (17)Vapour Pressure: 0.0454 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-chloro(chlorodifluoromethoxy) benzene and 2-chloro-phenol. This reaction will need reagent NaNH2 and solvent liquid ammonia. The reaction time is 20 min with reaction temperature of -28 °C. The yield is about 19%.
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When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(cc(c1)OC(F)(F)Cl)N
(2)InChI: InChI=1/C7H6ClF2NO/c8-7(9,10)12-6-3-1-2-5(11)4-6/h1-4H,11H2
(3)InChIKey: FLOJWBZQGYLBLL-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C7H6ClF2NO/c8-7(9,10)12-6-3-1-2-5(11)4-6/h1-4H,11H2
(5)Std. InChIKey: FLOJWBZQGYLBLL-UHFFFAOYSA-N