Product Name

  • Name

    2-Chloro-3,5-bis(trifluoromethyl)aniline

  • EINECS
  • CAS No. 201593-90-0
  • Density 1.544 g/cm3
  • Solubility Slightly soluble in water.
  • Melting Point
  • Formula C8H4ClF6N
  • Boiling Point 202.518 °C at 760 mmHg
  • Molecular Weight 263.57
  • Flash Point 76.28 °C
  • Transport Information
  • Appearance
  • Safety 26-36/37/39
  • Risk Codes 20/21/22-36/37/38
  • Molecular Structure Molecular Structure of 201593-90-0 (2-Chloro-3,5-bis(trifluoromethyl)aniline)
  • Hazard Symbols IrritantXi
  • 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%
  • PSA 26.02000
  • LogP 4.54100

2-Chloro-3,5-bis(trifluoromethyl)aniline 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

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