Product Name

  • Name

    3-FLUORO-5-NITROBENZOTRIFLUORIDE

  • EINECS
  • CAS No. 454-73-9
  • Density 1.504 g/cm3
  • Solubility
  • Melting Point
  • Formula C7H3F4NO2
  • Boiling Point 186.028 °C at 760 mmHg
  • Molecular Weight 209.1
  • Flash Point 66.308 °C
  • Transport Information
  • Appearance
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 454-73-9 (3-FLUORO-5-NITROBENZOTRIFLUORIDE)
  • Hazard Symbols IrritantXi
  • Synonyms Toluene, a,a,a,3-tetrafluoro-5-nitro- (7CI,8CI);1-Fluoro-3-nitro-5-(trifluoromethyl)benzene;1-Fluoro-3-nitrobenzotrifluoride;a,a,a,3-Tetrafluoro-5-nitrotoluene;3-Amino-5-fluorobenzotrifluoride;
  • PSA 45.82000
  • LogP 3.27590

3-Fluoro-5-nitrobenzotrifluoride Specification

The Benzene,1-fluoro-3-nitro-5-(trifluoromethyl)-, with the CAS registry number 454-73-9, is also known as 3-Fluoro-5-nitrobenzotrifluoride. This chemical's molecular formula is C7H3F4NO2 and molecular weight is 209.1. What's more, its systematic name is 1-Fluoro-3-nitro-5-(trifluoromethyl)benzene.

Physical properties of Benzene,1-fluoro-3-nitro-5-(trifluoromethyl)- are: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 40; (6)ACD/BCF (pH 7.4): 40; (7)ACD/KOC (pH 5.5): 489; (8)ACD/KOC (pH 7.4): 489; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82 Å2; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 37.772 cm3; (15)Molar Volume: 138.995 cm3; (16)Polarizability: 14.974×10-24 cm3; (17)Surface Tension: 30.667 dyne/cm; (18)Density: 1.504 g/cm3; (19)Flash Point: 66.308 °C; (20)Enthalpy of Vaporization: 40.495 kJ/mol; (21)Boiling Point: 186.028 °C at 760 mmHg; (22)Vapour Pressure: 0.929 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=C(C=C1[N+](=O)[O-])F)C(F)(F)F
(2)InChI: InChI=1S/C7H3F4NO2/c8-5-1-4(7(9,10)11)2-6(3-5)12(13)14/h1-3H
(3)InChIKey: RKLBCPTURHSIOJ-UHFFFAOYSA-N

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