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CAS No.: | 193533-92-5 |
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Name: | 2,3,4-Trifluorotoluene |
Molecular Structure: | |
Formula: | C7H5F3 |
Molecular Weight: | 146.112 |
Synonyms: | Toluene, trifluoro-;1,2,3-Trifluoro-4-methylbenzene; |
Density: | 1.234 g/cm3 |
Boiling Point: | 124.5 °C at 760 mmHg |
Flash Point: | 26 °C |
Appearance: | colorless to light yellow liquid |
Hazard Symbols: | F |
Risk Codes: | 10 |
Safety: | 16 |
Transport Information: | UN 1993 3/PG 3 |
PSA: | 0.00000 |
LogP: | 2.41230 |
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The 2,3,4-Trifluorotoluene, with the CAS registry number 193533-92-5, is also known as Benzene, 1,2,3-trifluoro-4-methyl-. It belongs to the product categories of Fluorin-Contained Toluene Series; Halide; Halogen Toluene; Aryl; C7; Halogenated Hydrocarbons. This chemical's molecular formula is C7H5F3 and molecular weight is 146.11. What's more, both its IUPAC name and systematic name are the same which is called 1,2,3-Trifluoro-4-methylbenzene.
Physical properties about 2,3,4-Trifluorotoluene are: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.69; (4)ACD/LogD (pH 7.4): 2.69; (5)ACD/BCF (pH 5.5): 65.34; (6)ACD/BCF (pH 7.4): 65.34; (7)ACD/KOC (pH 5.5): 693.33; (8)ACD/KOC (pH 7.4): 693.33; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.437; (14)Molar Refractivity: 31.05 cm3; (15)Molar Volume: 118.3 cm3; (16)Surface Tension: 25.6 dyne/cm; (17)Density: 1.234 g/cm3; (18)Flash Point: 26 °C; (19)Enthalpy of Vaporization: 34.74 kJ/mol; (20)Boiling Point: 124.5 °C at 760 mmHg; (21)Vapour Pressure: 15.4 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical may catch fire in contact with air, only need brief contact with an ignition source and have a very low flash point or evolve highly flammable gases in contact with water. Therefore, you should keep away from sources of ignition.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(c(F)c1F)C
(2) InChI: InChI=1S/C7H5F3/c1-4-2-3-5(8)7(10)6(4)9/h2-3H,1H3
(3) InChIKey: LRQPEHJWTXCLQY-UHFFFAOYSA-N