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| CAS No.: | 847502-88-9 |
|---|---|
| Name: | 2,4-DIFLUORO-3-METHYLBENZALDEHYDE |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C8H6F2O |
| Molecular Weight: | 156.132 |
| Synonyms: | 2,4-Difluoro-3-methylbenzaldehyde;2,4-Difluoromethylbenzaldehyde; |
| Density: | 1.241 g/cm3 |
| Boiling Point: | 198.27 °C at 760 mmHg |
| Flash Point: | 73.534 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 17.07000 |
| LogP: | 2.08570 |
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Specification
The systematic name of Benzaldehyde,2,4-difluoro-3-methyl- is 2,4-difluoro-3-methylbenzaldehyde. With the CAS registry number 847502-88-9, it is also named as 2,4-Difluoromethylbenzaldehyde. The product's category is Aromatic Aldehydes & Derivatives (substituted). In addition, its molecular formula is C8H6F2O and its molecular weight is 156.13.
The other characteristics of Benzaldehyde,2,4-difluoro-3-methyl- can be summarized as: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 26; (6)ACD/BCF (pH 7.4): 26; (7)ACD/KOC (pH 5.5): 354; (8)ACD/KOC (pH 7.4): 354; (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: 1.513; (14)Molar Refractivity: 37.818 cm3; (15)Molar Volume: 125.794 cm3; (16)Polarizability: 14.992×10-24cm3; (17)Surface Tension: 34.209 dyne/cm; (18)Density: 1.241 g/cm3; (19)Flash Point: 73.534 °C; (20)Enthalpy of Vaporization: 43.447 kJ/mol; (21)Boiling Point: 198.27 °C at 760 mmHg; (22)Vapour Pressure: 0.363 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
People can use the following data to convert to the molecule structure.
(1)SMILES: Fc1ccc(C=O)c(F)c1C
(2)InChI: InChI=1/C8H6F2O/c1-5-7(9)3-2-6(4-11)8(5)10/h2-4H,1H3
(3)InChIKey: MPOSIFXAXWZQED-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C8H6F2O/c1-5-7(9)3-2-6(4-11)8(5)10/h2-4H,1H3
(5)Std. InChIKey: MPOSIFXAXWZQED-UHFFFAOYSA-N