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4-Fluorobenzotrifluoride

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Name

4-Fluorobenzotrifluoride

EINECS 206-944-1
CAS No. 402-44-8 Density 1.29 g/cm3
PSA 0.00000 LogP 2.84450
Solubility Slightly soluble in water. Melting Point -42--41.7 °C(lit.)
Formula C7H4F4 Boiling Point 104.5 °C at 760 mmHg
Molecular Weight 164.102 Flash Point 10.6 °C
Transport Information UN 1993 3/PG 2 Appearance Clear colourless to light yellow liquid
Safety 16-26-33-24/25-7/9 Risk Codes 11-36/37/38
Molecular Structure Molecular Structure of 402-44-8 (4-Fluorobenzotrifluoride) Hazard Symbols FlammableF, HighlyF+, IrritantXi
Synonyms

Toluene,p,a,a,a-tetrafluoro- (6CI,7CI,8CI);1-Fluoro-4-(trifluoromethyl)benzene;4-(Trifluoromethyl)fluorobenzene;4-Fluoro(trifluoromethyl)benzene;4-Trifluoromethyl-1-fluorobenzene;4-Trifluoromethylphenyl fluoride;NSC 88289;p,a,a,a-Tetrafluorotoluene;p-(Trifluoromethyl)fluorobenzene;p-Fluoro(trifluoromethyl)benzene;p-Fluorobenzotrifluoride;a,a,a,4-Tetrafluorotoluene;a,a,a,p-Tetrafluorotoluene;

Article Data 69

4-Fluorobenzotrifluoride Chemical Properties

IUPAC Name: 1-Fluoro-4-(trifluoromethyl)benzene
Following is the structure of Benzene,1-fluoro-4-(trifluoromethyl)- (CAS NO.402-44-8):
                    
Empirical Formula: C7H4F4
Molecular Weight: 164.1003 
EINECS: 206-944-1
Index of Refraction: 1.405
Molar Refractivity: 31.22 cm3
Molar Volume: 127.1 cm3
Density: 1.29 g/cm3
Flash Point: 10.6 °C
Melting point: 42 °C
storage temp.: Refrigerator
Polarizability: 12.37 10-24cm3
Surface Tension: 20.8 dyne/cm
Enthalpy of Vaporization: 32.93 kJ/mol
Boiling Point: 104.5 °C at 760 mmHg
Vapour Pressure: 35.8 mmHg at 25 °C
Appearance of Benzene,1-fluoro-4-(trifluoromethyl)- (CAS NO.402-44-8): Clear colourless to light yellow liquid
Product Categories: Trifluoromethylbenzene serise; Fluorobenzene; Aromatic Hydrocarbons (substituted) & Derivatives
Canonical SMILES: C1=CC(=CC=C1C(F)(F)F)F
InChI: InChI=1S/C7H4F4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
InChIKey: UNNNAIWPDLRVRN-UHFFFAOYSA-N

4-Fluorobenzotrifluoride Toxicity Data With Reference

 Benzene,1-fluoro-4-(trifluoromethyl)- (CAS NO.402-44-8) hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65.

4-Fluorobenzotrifluoride Safety Profile

Hazard Codes: FlammableF,IrritantXi,HighlyF+
Risk Statements: 11-36/37/38 
R11:Highly flammable. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 16-26-33-24/25-7-9 
S16:Keep away from sources of ignition. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S33:Take precautionary measures against static discharges. 
S24/25:Avoid contact with skin and eyes. 
S7:Keep container tightly closed. 
S9:Keep container in a well-ventilated place.
RIDADR: UN 1993 3/PG 2
WGK Germany: 3
Hazard Note: Flammable/Irritant
TSCA: T
HazardClass: 3
PackingGroup: II

4-Fluorobenzotrifluoride Specification

 Benzene,1-fluoro-4-(trifluoromethyl)- , its cas register number is 402-44-8. It also can be called 1-Fluoro-4-(trifluoromethyl)benzene ; 4-Fluorobenzotrifluoride ; Toluene, p,alpha,alpha,alpha-tetrafluoro- ; alpha,alpha,alpha,p-Tetrafluorotoluene ; p-(Trifluoromethyl)fluorobenzene ; p-Fluorobenzotrifluoride ; and p-Fluorotrifluoromethylbenzene .
 Benzene,1-fluoro-4-(trifluoromethyl)- (CAS NO.402-44-8) could be stable under normal temperatures and pressures. It should avoid the condition like strong oxidants. And also prevent it to broken down into hazardous decomposition products: Irritating and toxic fumes and gases.

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