Product Name

  • Name

    4-(TRIFLUOROMETHYL)STYRENE

  • EINECS
  • CAS No. 402-50-6
  • Article Data72
  • CAS DataBase
  • Density 1.165
  • Solubility Insoluble in water.
  • Melting Point
  • Formula C9H7F3
  • Boiling Point 65-66 ºC (40 mmHg)
  • Molecular Weight 172.15
  • Flash Point 42 ºC
  • Transport Information UN 1993
  • Appearance
  • Safety
    Hazard Codes Xi
    Risk Statements 10-36/37/38
    Safety Statements 26-36/37
    RIDADR UN 1993 3/PG 3
    WGK Germany 3
    Hazard Note Light Sensitive/Irritant
    HazardClass 3.2
    PackingGroup III
  • Risk Codes R10;R36/37/38   
  • Molecular Structure Molecular Structure of 402-50-6 (4-(TRIFLUOROMETHYL)STYRENE)
  • Hazard Symbols
  • Synonyms Styrene,p-(trifluoromethyl)- (8CI);1-(Trifluoromethyl)-4-vinylbenzene;1-Ethenyl-4-(trifluoromethyl)benzene;4-(Trifluoromethyl)vinylbenzene;4-Trifluoromethylstyrene;[4-(Trifluoromethyl)phenyl]ethene;p-(Trifluoromethyl)styrene;
  • PSA 0.00000
  • LogP 3.34840

4-(Trifluoromethyl)styrene Specification

The 4-(Trifluoromethyl)styrene with cas registry number of 402-50-6, has the systematic name of 1-ethenyl-4-(trifluoromethyl)benzene. And it is also named benzene, 1-ethenyl-4-(trifluoromethyl)-. Its refractive index is 1.466. And this chemical should store at the temperature of 2-8°C.

Physical properties about this chemical are: (1)ACD/LogP: 3.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.66; (4)ACD/LogD (pH 7.4): 3.66; (5)ACD/BCF (pH 5.5): 354.2; (6)ACD/BCF (pH 7.4): 354.2; (7)ACD/KOC (pH 5.5): 2324.67; (8)ACD/KOC (pH 7.4): 2324.67; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.478; (14)Molar Refractivity: 42.15 cm3; (15)Molar Volume: 148.8 cm3; (16)Polarizability: 16.71×10-24cm3; (17)Surface Tension: 23.9 dyne/cm; (18)Enthalpy of Vaporization: 37.15 kJ/mol; (19)Vapour Pressure: 4.85 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Trimesic acid irritates to eyes, respiratory system and skin. And this chemical is flammable. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: FC(F)(F)c1ccc(\C=C)cc1;
(2)InChI: InChI=1/C9H7F3/c1-2-7-3-5-8(6-4-7)9(10,11)12/h2-6H,1H2;
(3)InChIKey: CEWDRCQPGANDRS-UHFFFAOYAL;
(4)Std. InChI: InChI=1S/C9H7F3/c1-2-7-3-5-8(6-4-7)9(10,11)12/h2-6H,1H2;
(5)Std. InChIKey: CEWDRCQPGANDRS-UHFFFAOYSA-N

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