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| CAS No.: | 132927-09-4 |
|---|---|
| Name: | 2-METHOXY-4-(TRIFLUOROMETHYL)BENZALDEHYDE |
| Article Data: | 4 |
| Molecular Structure: | |
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|
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| Formula: | C9H7F3O2 |
| Molecular Weight: | 204.149 |
| Synonyms: | 2-Methoxy-4-(trifluoromethyl)benzaldehyde;4-(Trifluoromethyl)-o-anisaldehyde; |
| Density: | 1.287 g/cm3 |
| Melting Point: | 51-55℃ |
| Boiling Point: | 246.6 °C at 760 mmHg |
| Flash Point: | 100 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| PSA: | 26.30000 |
| LogP: | 2.52650 |
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- Total:29 Page 1 of 1 1
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Specification
The systematic name of 2-Methoxy-4-(trifluoromethyl)benzaldehyde is 2-Methoxy-4-(trifluoromethyl)benzaldehyde. With the CAS registry number 132927-09-4, it is also named as 4-(Trifluoromethyl)-o-anisaldehyde. The product is air sensitive. In addition, its molecular formula is C9H7F3O2 and its molecular weight is 204.15.
The other characteristics of 2-Methoxy-4-(trifluoromethyl)benzaldehyde can be summarized as: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)H bond acceptors: 2; (4)H bond donors: 0; (5)Freely Rotating Bonds: 2; (6)Nominal mass: 204; (7)Average mass: 204.1459; (8)Monoisotopic mass: 204.039814; (9)Polar Surface Area: 26.3 Å2; (10)Index of Refraction: 1.475; (11)Molar Refractivity: 44.66 cm3; (12)Molar Volume: 158.6 cm3; (13)Polarizability: 17.7×10-24cm3; (14)Surface Tension: 28.4 dyne/cm; (15)Density: 1.287 g/cm3; (16)Flash Point: 100 °C; (17)Enthalpy of Vaporization: 48.38 kJ/mol; (18)Boiling Point: 246.6 °C at 760 mmHg; (19)Vapour Pressure: 0.0268 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:FC(F)(F)c1cc(OC)c(C=O)cc1
(2)InChI:InChI=1/C9H7F3O2/c1-14-8-4-7(9(10,11)12)3-2-6(8)5-13/h2-5H,1H3
(3)InChIKey:KKESHHUPAFNMPH-UHFFFAOYAY
(4)Std. InChI:InChI=1S/C9H7F3O2/c1-14-8-4-7(9(10,11)12)3-2-6(8)5-13/h2-5H,1H3
(5)Std. InChIKey:KKESHHUPAFNMPH-UHFFFAOYSA-N