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| CAS No.: | 201593-90-0 |
|---|---|
| Name: | 2-Chloro-3,5-bis(trifluoromethyl)aniline |
| Molecular Structure: | |
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| Formula: | C8H4ClF6N |
| Molecular Weight: | 263.57 |
| Synonyms: | 2-CHLORO-ALPHA,ALPHA,ALPHA,ALPHA,ALPHA,ALPHA-HEXAFLUORO-3,5-XYLIDINE;2-CHLORO-3,5-BIS-TRIFLUOROMETHYL-PHENYLAMINE;2-CHLORO-3,5-BIS(TRIFLUOROMETHYL)ANILINE;3,5-BIS(TRIFLUOROMETHYL)-2-CHLOROANILINE;2-Chloro-3,5-bis(trifluoromethyl)aniline 98%;2-Chloro-3,5-bis(trifluoromethyl)aniline98% |
| Density: | 1.544 g/cm3 |
| Boiling Point: | 202.518 °C at 760 mmHg |
| Flash Point: | 76.28 °C |
| Solubility: | Slightly soluble in water. |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 26.02000 |
| LogP: | 4.54100 |
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Specification
The 2-Chloro-3,5-bis(trifluoromethyl)aniline, with the CAS registry number 201593-90-0, is also called 3,5-Bis(trifluoromethyl)-2-chloroaniline.
The physical properties of this chemical are as follows: (1)ACD/LogP: 5.31; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.31 ; (4)ACD/LogD (pH 7.4): 5.31; (5)ACD/BCF (pH 5.5): 6385.57; (6)ACD/BCF (pH 7.4): 6385.6; (7)ACD/KOC (pH 5.5): 18422.68; (8)ACD/KOC (pH 7.4): 18422.78; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24; (13)Index of Refraction: 1.444; (14)Molar Refractivity: 45.34 cm3; (15)Molar Volume: 170.6 cm3; (16)Polarizability: 17.97×10-24 cm3; (17)Surface Tension: 25.4 dyne/cm; (18)Density: 1.544 g/cm3; (19)Flash Point: 76.3 °C; (20)Enthalpy of Vaporization: 43.87 kJ/mol; (21)Boiling Point: 202.5 °C at 760 mmHg; (22)Vapour Pressure: 0.291 mmHg at 25°C.
When you are dealing with this chemical, you should be very cautious. For being a kind of irritant chemical which is irritating to eyes, respiratory system and skin, it is harmful if by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
In addition, you could convert the following datas into the molecular structure:
(1)SMILES:Clc1c(cc(cc1N)C(F)(F)F)C(F)(F)F
(2)InChI:InChI=1/C8H4ClF6N/c9-6-4(8(13,14)15)1-3(2-5(6)16)7(10,11)12/h1-2H,16H2
(3)InChIKey:JKUFETFGEJPHEM-UHFFFAOYAG