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Benzaldehyde,2,6-difluoro-3-methyl-

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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 Molecular Structure of 261763-34-2 (Benzaldehyde, 2,6-difluoro-3-methyl- (9CI)) Hazard Symbols IrritantXi
Synonyms

Benzaldehyde, 2,6-difluoro-3-methyl- (9CI);2,6-Difluoro-m-tolualdehyde, 2,4-Difluoro-3-formyltoluene

 

Benzaldehyde,2,6-difluoro-3-methyl- Specification

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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