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CAS No.: | 132992-29-1 |
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Name: | 2,3,5-TRIFLUOROTOLUENE |
Molecular Structure: | |
Formula: | C7H5F3 |
Molecular Weight: | 146.112 |
Synonyms: | 1,2,5-Trifluoro-3-methylbenzene; |
EINECS: | 671-782-4 |
Density: | 1.235g/cm3 |
Boiling Point: | 122.977 °C at 760 mmHg |
Flash Point: | 24.917 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 0.00000 |
LogP: | 2.41230 |
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The Benzene,1,2,5-trifluoro-3-methyl-, with CAS registry number 132992-29-1, belongs to the following product category: Halide. It has the systematic name of 1,2,5-trifluoro-3-methylbenzene. Besides this, it is also called 2,3,5-Trifluorotoluene. And the chemical formula of this chemical is C7H5F3.
Physical properties of Benzene,1,2,5-trifluoro-3-methyl-: (1)ACD/LogP: 2.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 86; (6)ACD/BCF (pH 7.4): 86; (7)ACD/KOC (pH 5.5): 845; (8)ACD/KOC (pH 7.4): 845; (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: 1.438; (14)Molar Refractivity: 31.059 cm3; (15)Molar Volume: 118.338 cm3; (16)Polarizability: 12.313×10-24cm3; (17)Surface Tension: 25.642 dyne/cm; (18)Density: 1.235 g/cm3; (19)Flash Point: 24.917 °C; (20)Enthalpy of Vaporization: 34.604 kJ/mol; (21)Boiling Point: 122.977 °C at 760 mmHg; (22)Vapour Pressure: 16.397 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Benzene,1,2,5-trifluoro-3-methyl- irritates to eyes, respiratory system and skin. 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: Cc1cc(F)cc(F)c1F
(2)InChI: InChI=1/C7H5F3/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,1H3
(3)InChIKey: ZQWBCGBMUFLFPC-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C7H5F3/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,1H3
(5)Std. InChIKey: ZQWBCGBMUFLFPC-UHFFFAOYSA-N