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CAS No.: | 67515-56-4 |
---|---|
Name: | 4-Fluoro-3-(trifluoromethyl)benzoyl chloride |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C8H3ClF4O |
Molecular Weight: | 226.558 |
Synonyms: | 4-Fluoro-3-trifluoromethylbenzoylchloride; |
Density: | 1.475 g/cm3 |
Boiling Point: | 202.5 °C at 760 mmHg |
Flash Point: | 76.3 °C |
Appearance: | clear colorless to pale yellow liquid |
Hazard Symbols: | C |
Risk Codes: | 34 |
Safety: | 26-27-36/37/39-45 |
PSA: | 17.07000 |
LogP: | 3.22350 |
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The 4-Fluoro-3-(trifluoromethyl)benzoyl chloride is an organic compound with the formula C8H3ClF4O. The IUPAC name of this chemical is 4-fluoro-3-(trifluoromethyl)benzoyl chloride. With the CAS registry number 67515-56-4, it is also named as Benzoyl chloride, 4-fluoro-3-(trifluoromethyl)-. The product's categories are Acid Halides; Carbonyl Compounds; Organic Building Blocks. Besides, it is clear colorless to pale yellow liquid, which should be stored in a cool and dry place.
Physical properties about 4-Fluoro-3-(trifluoromethyl)benzoyl chloride are: (1)ACD/LogP: 3.51; (2)ACD/LogD (pH 5.5): 3.51; (3)ACD/LogD (pH 7.4): 3.51; (4)ACD/BCF (pH 5.5): 273.42; (5)ACD/BCF (pH 7.4): 273.42; (6)ACD/KOC (pH 5.5): 1931.47; (7)ACD/KOC (pH 7.4): 1931.47; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.07 Å2; (11)Index of Refraction: 1.452; (12)Molar Refractivity: 41.47 cm3; (13)Molar Volume: 153.5 cm3; (14)Polarizability: 16.44×10-24cm3; (15)Surface Tension: 28.7 dyne/cm; (16)Density: 1.475 g/cm3; (17)Flash Point: 76.3 °C; (18)Enthalpy of Vaporization: 43.87 kJ/mol; (19)Boiling Point: 202.5 °C at 760 mmHg; (20)Vapour Pressure: 0.291 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. Please take off immediately all contaminated clothing. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible). When you are using it, wear suitable gloves and eye/face protection. 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: FC(F)(F)c1cc(ccc1F)C(Cl)=O
(2)InChI: InChI=1/C8H3ClF4O/c9-7(14)4-1-2-6(10)5(3-4)8(11,12)13/h1-3H
(3)InChIKey: BUDISZQHCHGLJW-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C8H3ClF4O/c9-7(14)4-1-2-6(10)5(3-4)8(11,12)13/h1-3H
(5)Std. InChIKey: BUDISZQHCHGLJW-UHFFFAOYSA-N