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Name |
Benzaldehyde,2,6-difluoro-3-methyl- |
EINECS | N/A |
CAS No. | 261763-34-2 | Density | 1.241 g/cm3 |
PSA | 17.07000 | LogP | 2.08570 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H6F2O | Boiling Point | 193.1 °C at 760 mmHg |
Molecular Weight | 156.132 | Flash Point | 71.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Benzaldehyde, 2,6-difluoro-3-methyl- (9CI);2,6-Difluoro-m-tolualdehyde, 2,4-Difluoro-3-formyltoluene |
The Benzaldehyde,2,6-difluoro-3-methyl- is an organic compound with the formula C8H6F2O. Its CAS registry number is 261763-34-2. The IUPAC name of this chemical is 2,6-Difluoro-3-methylbenzaldehyde. It belongs to the product categories of Halide; Aldehyde and the molecular weight is 156.1294464. In addition, this chemical is irritanting and may cause inflammation to the skin or other mucous membranes. It should be stored in a dry, cool and sealing place.
Physical properties about Benzaldehyde,2,6-difluoro-3-methyl- are: (1)ACD/LogP: 2.43; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.43; (4)ACD/LogD (pH 7.4): 2.43; (5)ACD/BCF (pH 5.5): 41.46; (6)ACD/BCF (pH 7.4): 41.46; (7)ACD/KOC (pH 5.5): 500.59; (8)ACD/KOC (pH 7.4): 500.59; (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: 37.81 cm3; (15)Molar Volume: 125.7 cm3; (16)Polarizability: 14.99×10-24 cm3; (17)Surface Tension: 34.2 dyne/cm; (18)Density: 1.241 g/cm3; (19)Flash Point: 71.3 °C; (20)Enthalpy of Vaporization: 42.93 kJ/mol; (21)Boiling Point: 193.1 °C at 760 mmHg; (22)Vapour Pressure: 0.473 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(C=O)c(F)c(cc1)C
(2) InChI: InChI=1/C8H6F2O/c1-5-2-3-7(9)6(4-11)8(5)10/h2-4H,1H3
(3) InChIKey: MXZXYEFIOADJMW-UHFFFAOYAJ
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