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CAS No.: | 165047-24-5 |
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Name: | 2,4,5-Trifluorobenzaldehyde |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C7H3F3O |
Molecular Weight: | 160.095 |
Synonyms: | 2,4,5-Trifluorbenzolcarbaldehyd; |
EINECS: | -0 |
Density: | 1.407 g/cm3 |
Boiling Point: | 179.1 °C at 760 mmHg |
Flash Point: | 51.6 °C |
Solubility: | Not miscible or difficult to mix in water. |
Appearance: | Clear colorless to light yellow liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
Transport Information: | UN 1993 3/PG 1 |
PSA: | 17.07000 |
LogP: | 1.91640 |
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The IUPAC name of this chemical is 2,4,5-Trifluorobenzaldehyde. With the CAS registry number 165047-24-5, it is also named as Benzaldehyde,2,4,5-trifluoro-. In addition, the molecular formula is C7H3F3O and the molecular weight is 160.09. It is a kind of clear colorless to light yellow liquid and belongs to the classes of Aldehyde; Halide; Aromatic Aldehydes & Derivatives (substituted); Benzaldehyde; Miscellaneous; Aldehydes; C7; Carbonyl Compounds. And it should be stored in a cool, ventilated and dry place.
Physical properties about 2,4,5-Trifluorobenzaldehyde are: (1)ACD/LogP: 1.92 ; (2)ACD/LogD (pH 5.5): 1.92; (3)ACD/LogD (pH 7.4): 1.92; (4)ACD/BCF (pH 5.5): 17.06; (5)ACD/BCF (pH 7.4): 17.06; (6)ACD/KOC (pH 5.5): 265.14; (7)ACD/KOC (pH 7.4): 265.14; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.07 Å2; (11)Index of Refraction: 1.491; (12)Molar Refractivity: 32.98 cm3; (13)Molar Volume: 113.7 cm3; (14)Polarizability: 13.07 ×10-24cm3; (15)Surface Tension: 33.5 dyne/cm; (16)Density: 1.407 g/cm3; (17)Flash Point: 51.6 °C; (18)Enthalpy of Vaporization: 41.54 kJ/mol; (19)Boiling Point: 179.1 °C at 760 mmHg; (20)Vapour Pressure: 0.956 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of 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: Fc1cc(C=O)c(F)cc1F
(2)InChI: InChI=1/C7H3F3O/c8-5-2-7(10)6(9)1-4(5)3-11/h1-3H
(3)InChIKey: CYIFJRXFYSUBFW-UHFFFAOYAQ