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CAS No.: | 83279-39-4 |
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Name: | 3-Chloro-4-(Trifluoromethoxy)Benzaldehyde |
Molecular Structure: | |
Formula: | C8H4O2ClF3 |
Molecular Weight: | 224.567 |
Synonyms: | 3-Chloro-4-(trifluoromethoxy)benzaldehyde; |
Density: | 1.463 g/cm3 |
Boiling Point: | 225.6 °C at 760 mmHg |
Flash Point: | 92.3 °C |
PSA: | 26.30000 |
LogP: | 3.05110 |
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The Benzaldehyde,3-chloro-4-(trifluoromethoxy)- is an organic compound with the formula C8H4O2ClF3. Its CAS registry number is 83279-39-4. The IUPAC name of this chemical is 3-Chloro-4-(trifluoromethoxy)benzaldehyde. In addition, the molecular weight is 224.56.
Physical properties about Benzaldehyde,3-chloro-4-(trifluoromethoxy)- are: (1)ACD/LogP: 3.30; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.3; (4)ACD/LogD (pH 7.4): 3.3; (5)ACD/BCF (pH 5.5): 189.84; (6)ACD/BCF (pH 7.4): 189.84; (7)ACD/KOC (pH 5.5): 1487.59; (8)ACD/KOC (pH 7.4): 1487.59; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.498; (14)Molar Refractivity: 45.03 cm3; (15)Molar Volume: 153.4 cm3; (16)Polarizability: 17.85×10-24 cm3; (17)Surface Tension: 33.2 dyne/cm; (18)Density: 1.463 g/cm3; (19)Flash Point: 92.3 °C; (20)Enthalpy of Vaporization: 46.21 kJ/mol; (21)Boiling Point: 225.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0859 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(ccc1OC(F)(F)F)C=O
(2) InChI: InChI=1/C8H4ClF3O2/c9-6-3-5(4-13)1-2-7(6)14-8(10,11)12/h1-4H
(3) InChIKey: SDBUQQVMQXOGBO-UHFFFAOYAO