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| CAS No.: | 252004-45-8 |
|---|---|
| Name: | 4-CHLORO-2,6-DIFLUOROBENZALDEHYDE |
| Molecular Structure: | |
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|
|
| Formula: | C7H3ClF2O |
| Molecular Weight: | 176.55 |
| Synonyms: | 4-Chloro-2,6-difluorobenzaldehyde; |
| Density: | 1.453 g/cm3 |
| Melting Point: | 70-74℃ |
| Boiling Point: | 198.8 °C at 760 mmHg |
| Flash Point: | 74 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 25-36/37/38 |
| Safety: | 26-45 |
| PSA: | 17.07000 |
| LogP: | 2.43070 |
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Specification
This chemical is called 4-Chloro-2,6-difluorobenzaldehyde, and it can also be named as Benzaldehyde, 4-chloro-2,6-difluoro-. With the molecular formula of C7H3ClF2O, its molecular weight is 176.55. The CAS registry number of this chemical is 252004-45-8. In addition, this chemical is irritant and air sensitive, you should be careful when you use it.
Other characteristics of the 4-Chloro-2,6-difluorobenzaldehyde can be summarised as followings: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.66; (4)ACD/LogD (pH 7.4): 1.66; (5)ACD/BCF (pH 5.5): 10.73; (6)ACD/BCF (pH 7.4): 10.73; (7)ACD/KOC (pH 5.5): 190.22; (8)ACD/KOC (pH 7.4): 190.22; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 37.88 cm3; (15)Molar Volume: 121.4 cm3; (16)Polarizability: 15.02×10-24cm3; (17)Surface Tension: 38.4 dyne/cm; (18)Density: 1.453 g/cm3; (19)Flash Point: 74 °C; (20)Enthalpy of Vaporization: 43.5 kJ/mol; (21)Boiling Point: 198.8 °C at 760 mmHg; (22)Vapour Pressure: 0.353 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1.SMILES: Fc1c(C=O)c(F)cc(Cl)c1
2.InChI: InChI=1/C7H3ClF2O/c8-4-1-6(9)5(3-11)7(10)2-4/h1-3H
3.InChIKey: GTTVSBCPMJQRSP-UHFFFAOYAX
4.Std. InChI: InChI=1S/C7H3ClF2O/c8-4-1-6(9)5(3-11)7(10)2-4/h1-3H
5.Std. InChIKey: GTTVSBCPMJQRSP-UHFFFAOYSA-N