Product Name

  • Name

    3,4,5-TRIFLUOROBENZONITRILE

  • EINECS
  • CAS No. 134227-45-5
  • Article Data4
  • CAS DataBase
  • Density 1.37 g/cm3
  • Solubility
  • Melting Point 45-47 °C(lit.)
  • Formula C7H2F3N
  • Boiling Point 190.5 °C at 760 mmHg
  • Molecular Weight 157.095
  • Flash Point 62.8 °C
  • Transport Information UN 1325 4.1/PG 2
  • Appearance semi-transparent crystals
  • Safety 16-33-36-26-36/37/39
  • Risk Codes 11-36/37/38-20/21/22
  • Molecular Structure Molecular Structure of 134227-45-5 (3,4,5-TRIFLUOROBENZONITRILE)
  • Hazard Symbols FlammableF, ToxicT, IrritantXi, HarmfulXn
  • Synonyms 3,4,5-TRIFLUOROBENZONITRILE;3,4,5-TRIFLUORO-1-CYANO BENZENE;3,4,5-Trifluorobenzonitrile, 97+%;Benzonitrile, 3,4,5-trifluoro- (9CI);3-flurophenylacetic acid;3,4,5-Trifluorobenzonitrile 99%;3,4,5-Trifluorobenzonitrile99%;3,4,5-Trifluorobenzo
  • PSA 23.79000
  • LogP 1.97558

3,4,5-Trifluorobenzonitrile Chemical Properties

 3,4,5-Trifluorobenzonitrile (134227-45-5) is also named as 3,4,5-Trifluoro-1-cyano benzene ; 3,4,5-Trifluorobenzonitrile, 97+% ; Benzonitrile, 3,4,5-trifluoro-(9CI) ; 3-flurophenylacetic acid ; 3,4,5-Trifluorobenzonitrile 99% ; ZINC00389548 ; BB_SC-4568 ; JRD-0368 ;  CID593814 ; STK802220 ; I01-3119 ,and so on. 3,4,5-Trifluorobenzonitrile (134227-45-5) is commonly semi-transparent crystals.

IUPAC Name: 3,4,5-Trifluorobenzonitrile
CAS: 134227-45-5
Molecular Formula: C7H2F3N
Molecular Weight: 157.09
Molecular structure:
Melting point:  45-47 °C(lit.)
BRN:  7702244
ACD/LogD (pH 5.5): 1.18 
ACD/LogD (pH 7.4): 1.18 
ACD/BCF (pH 5.5): 4.62 
ACD/BCF (pH 7.4): 4.62 
ACD/KOC (pH 5.5): 104.15 
ACD/KOC (pH 7.4): 104.15 
H bond acceptors: 1 
H bond donors: 0 
Freely Rotating Bonds: 0 
Index of Refraction: 1.464 
Molar Refractivity: 31.65 cm3 
Molar Volume: 114.6 cm3 
Polarizability: 12.55 10-24cm3 
Surface Tension: 33.1 dyne/cm 
Density: 1.37 g/cm3 
Flash Point: 62.8 °C 
Enthalpy of Vaporization: 42.67 kJ/mol 
Boiling Point: 190.5 °C at 760 mmHg 
Vapour Pressure: 0.541 mmHg at 25°C 

3,4,5-Trifluorobenzonitrile Uses

 3,4,5-Trifluorobenzonitrile (134227-45-5) is commonly used as pharmaceutical intermediate and pesticide intermediate.

3,4,5-Trifluorobenzonitrile Safety Profile

Hazard Codes:  F,T,Xi,Xn   
Risk Statements:  11-36/37/38-20/21/22 (11:  Highly Flammable 36/37/38:  Irritating to eyes, respiratory system and skin 20/21/22:  Harmful by inhalation, in contact with skin and if swallowed)
Safety Statements:  16-33-36-26-36/37/39 (16:  Keep away from sources of ignition - No smoking 33:  Take precautionary measures against static discharges 36:  Wear suitable protective clothing  26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 36/37/39:  Wear suitable protective clothing, gloves and eye/face protection)
RIDADR:  UN 1325 4.1/PG 2
WGK Germany:  3
Hazard Note:  Toxic
HazardClass:  6.1
PackingGroup:  III

3,4,5-Trifluorobenzonitrile Specification

Removal in wastewater treatment of  3,4,5-Trifluorobenzonitrile (134227-45-5) can be stated as follows:
Total removal:30.98  percent
Total biodegradation:0.07  percent
Total sludge adsorption:1.79  percent
Total to Air:29.12  percent
(using 10000 hr Bio P,A,S)

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