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| CAS No.: | 104147-32-2 |
|---|---|
| Name: | 3,5-Dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline |
| Molecular Structure: | |
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|
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| Formula: | C8H5Cl2F4NO |
| Molecular Weight: | 278.033 |
| Synonyms: | 3,5-Dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline;benzenamine, 3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)-; |
| EINECS: | 401-790-3 |
| Density: | 1.559 g/cm3 |
| Boiling Point: | 305.187 °C at 760 mmHg |
| Flash Point: | 138.372 °C |
| Appearance: | Kind of white to yellow powder |
| Hazard Symbols: |
 Xn;  N
|
| Risk Codes: | 22-50/53 |
| Safety: | 24/25-26-57-60-61 |
| PSA: | 35.25000 |
| LogP: | 4.39350 |
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Specification
The 3,5-Dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline, with the CAS registry number 104147-32-2 and EINECS registry number 401-790-3, is also called benzenamine, 3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)-. And the molecular formula of the chemical is C8H5Cl2F4NO.
The characteristics of 3,5-Dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline are as followings: (1)ACD/LogP: 3.68; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 12.47 Å2; (7)Index of Refraction: 1.496; (8)Molar Refractivity: 52.16 cm3; (9)Molar Volume: 178.3 cm3; (10)Polarizability: 20.68×10-24cm3; (11)Surface Tension: 34.3 dyne/cm; (12)Density: 1.558 g/cm3; (13)Flash Point: 138.4 °C; (14)Enthalpy of Vaporization: 54.56 kJ/mol; (15)Boiling Point: 305.2 °C at 760 mmHg; (16)Vapour Pressure: 0.000834 mmHg at 25°C.
You should be cautious while dealing with this chemical. It is harmful if swallowed and also very toxic to aquatic organisms, what's more, it may cause long-term adverse effects in the aquatic environment. Therefore, you had better take the following instructions: Avoid contact with skin and eyes; In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; Use appropriate container to avoid environmental contamination; This material and/or its container must be disposed of as hazardous waste; Avoid release to the environment. Refer to special instructions safety data sheet.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc(cc(Cl)c1OC(F)(F)C(F)F)N
(2)InChI: InChI=1/C8H5Cl2F4NO/c9-4-1-3(15)2-5(10)6(4)16-8(13,14)7(11)12/h1-2,7H,15H2
(3)InChIKey: JIPDPVQPKLVDIU-UHFFFAOYAY