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CAS No.: | 82386-89-8 |
---|---|
Name: | 2-Chloro-5-trifluoromethylbenzaldehyde |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C8H4ClF3O |
Molecular Weight: | 208.567 |
Synonyms: | 2-Chloro-5-(trifluoromethyl)benzaldehyde; |
Density: | 1.423 g/cm3 |
Boiling Point: | 193.9 °C at 760 mmHg |
Flash Point: | 89.4 °C |
Appearance: | clear, colorless to pale yellow liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 17.07000 |
LogP: | 3.17130 |
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The Benzaldehyde,2-chloro-5-(trifluoromethyl)-, with the CAS registry number 82386-89-8, is also known as 2-Chloro-5-trifluoromethylbenzaldehyde. It belongs to the product categories of Fluorobenzene; Carbonyl Compounds; Benzaldehyde; Aldehydes; C8; Carbonyl Compounds. This chemical's molecular formula is C8H4ClF3O and molecular weight is 208.56. What's more, both its IUPAC name and systematic name are the same which is called 2-Chloro-5-(trifluoromethyl)benzaldehyde.
Physical properties about Benzaldehyde,2-chloro-5-(trifluoromethyl)- are: (1)ACD/LogP: 3.23; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.496; (8)Molar Refractivity: 42.88 cm3; (9)Molar Volume: 146.5 cm3; (10)Surface Tension: 30.8 dyne/cm; (11)Density: 1.423 g/cm3; (12)Flash Point: 89.4 °C; (13)Enthalpy of Vaporization: 43.01 kJ/mol; (14)Boiling Point: 193.9 °C at 760 mmHg; (15)Vapour Pressure: 0.453 mmHg at 25 °C.
Preparation of Benzaldehyde,2-chloro-5-(trifluoromethyl)-: this chemical can be prepared by 2-Chloro-5-trifluoromethylbenzyl alcohol. This reaction needs reagents K2Cr2O7, C6H5CH2N(C2H5)3Cl and solvent CH2Cl2 at ambient temperature. The reaction time is 1 hour. The yield is 61 %.
Uses of Benzaldehyde,2-chloro-5-(trifluoromethyl)-: it is used to produce other chemicals. For example, it can react with 2-Fluorothiophenol to get 2-(2-Fluorophenylthio)-5-trifluoromethylbenzaldehyde. The reaction occurs with reagent NaOH and solvent hexamethylphosphoric acid triamide at temperature of 100 °C. The yield is 97 %.
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1cc(ccc1Cl)C(F)(F)F
(2) InChI: InChI=1S/C8H4ClF3O/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-4H
(3) InChIKey: OZZOJJJYKYKBNH-UHFFFAOYSA-N