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N-[4-Bromo-2-(trifluoromethoxy)phenyl]acetamide

  • Name N-[4-Bromo-2-(trifluoromethoxy)phenyl]acetamide
  • EINECSN/A
  • CAS No. 175278-18-9
  • Density1.664 g/cm3
  • PSA38.33000
  • LogP3.37910
  • SolubilityN/A
  • Melting Point135 °C
  • FormulaC9H7BrF3NO2
  • Boiling Point302.4 °C at 760 mmHg
  • Molecular Weight298.059
  • Flash Point136.7 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety26-36/37/39
  • Risk Codes36/37/38
  • Molecular Structure
    Molecular Structure of 175278-18-9 (4-BROMO-2-(TRIFLUOROMETHOXY)ACETANILIDE)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data3

N-[4-Bromo-2-(trifluoromethoxy)phenyl]acetamide Specification

This chemical is called N-[4-Bromo-2-(trifluoromethoxy)phenyl]acetamide, and it can also be named as 4-Bromo-2-(trifluoromethoxy)acetanilide. With the molecular formula of C9H7BrF3NO2, its molecular weight is 298.06. The CAS registry number of this chemical is 175278-18-9, and its product categories are Anilines, Amides & Amines; Bromine Compounds; Fluorine Compounds. Its systematic name is N-[4-Bromo-2-(trifluoromethoxy)phenyl]acetamide. Additionally, this chemical should be stored at the room temperature. 

Other characteristics of the N-[4-Bromo-2-(trifluoromethoxy)phenyl]acetamide can be summarised as follows: (1)ACD/LogP: 3.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.34; (4)ACD/LogD (pH 7.4): 3.34; (5)ACD/BCF (pH 5.5): 204.45; (6)ACD/BCF (pH 7.4): 204.45; (7)ACD/KOC (pH 5.5): 1568.66; (8)ACD/KOC (pH 7.4): 1568.66; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 55.35 cm3; (15)Molar Volume: 179 cm3; (16)Polarizability: 21.94×10-24 cm3; (17)Surface Tension: 37 dyne/cm; (18)Density: 1.664 g/cm3; (19)Flash Point: 136.7 °C; (20)Enthalpy of Vaporization: 54.26 kJ/mol; (21)Boiling Point: 302.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000993 mmHg at 25°C.

When you are using this chemical, please be cautious about it as follows: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection when you use it. In case of 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: Brc1cc(OC(F)(F)F)c(NC(=O)C)cc1
2.InChI: InChI=1/C9H7BrF3NO2/c1-5(15)14-7-3-2-6(10)4-8(7)16-9(11,12)13/h2-4H,1H3,(H,14,15)
3.InChIKey: SHHWWZMWTUTJPY-UHFFFAOYAS

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