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CAS No.: | 177034-24-1 |
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Name: | 4-CHLORO-2-FLUORO-5-METHOXY BENZALDEHYDE |
Molecular Structure: | |
Formula: | C8H6ClFO2 |
Molecular Weight: | 188.586 |
Synonyms: | 4-Chloro-2-fluoro-5-methoxybenzaldehyde; |
Density: | 1.334 g/cm3 |
Boiling Point: | 273.1 °C at 760 mmHg |
Flash Point: | 124.4 °C |
Hazard Symbols: | T |
Risk Codes: | 25-37/38-41 |
Safety: | 26-39-45 |
PSA: | 26.30000 |
LogP: | 2.30020 |
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The cas register number of 4-Chloro-2-fluoro-5-methoxybenzaldehyde is 177034-24-1. It also can be called as Benzaldehyde,4-chloro-2-fluoro-5-methoxy- and the Systematic name about this chemical is 4-chloro-2-fluoro-5-methoxybenzaldehyde.
Physical properties about 4-Chloro-2-fluoro-5-methoxybenzaldehyde are: (1)ACD/LogP: 1.95; (2)ACD/LogD (pH 5.5): 1.95; (3)ACD/LogD (pH 7.4): 1.95; (4)ACD/BCF (pH 5.5): 17.73; (5)ACD/BCF (pH 7.4): 17.73; (6)ACD/KOC (pH 5.5): 272.58; (7)ACD/KOC (pH 7.4): 272.58; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 26.3Å2; (11)Index of Refraction: 1.543; (12)Molar Refractivity: 44.57 cm3; (13)Molar Volume: 141.2 cm3; (14)Polarizability: 17.67x10-24cm3; (15)Surface Tension: 38.5 dyne/cm; (16)Enthalpy of Vaporization: 51.14 kJ/mol; (17)Vapour Pressure: 0.00584 mmHg at 25°C .
You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc(C=O)c(F)cc1Cl
(2)InChI: InChI=1/C8H6ClFO2/c1-12-8-2-5(4-11)7(10)3-6(8)9/h2-4H,1H3
(3)InChIKey: XWPDQEBSWPVPKG-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C8H6ClFO2/c1-12-8-2-5(4-11)7(10)3-6(8)9/h2-4H,1H3
(5)Std. InChIKey: XWPDQEBSWPVPKG-UHFFFAOYSA-N