CAS No.265108-36-9,Cyclohexanecarboxaldehyde, 4,4-difluoro- (9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	265108-36-9
Name:	Cyclohexanecarboxaldehyde, 4,4-difluoro- (9CI)
Article Data:	23

Formula:	C₇H₁₀F₂O
Molecular Weight:	148.153
Synonyms:	4,4-Difluorocyclohexanecarboxaldehyde;
Density:	1.1 g/cm³
Boiling Point:	165 °C at 760 mmHg
Flash Point:	59 °C
Hazard Symbols:	Xi
PSA:	17.07000
LogP:	2.01080

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Specification

The CAS registry number of Cyclohexanecarboxaldehyde,4,4-difluoro- is 265108-36-9. It belongs to the product categories of Halide; Aldehyde. This chemical's molecular formula is C₇H₁₀F₂O and molecular weight is 148.1505. What's more, its systematic name is 4,4-Difluorocyclohexanecarboxaldehyde.

Physical properties about Cyclohexanecarboxaldehyde,4,4-difluoro- are: (1) ACD/LogP: 0.99; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.99; (4) ACD/LogD (pH 7.4): 0.99; (5) ACD/BCF (pH 5.5): 3.32; (6) ACD/BCF (pH 7.4): 3.32; (7) ACD/KOC (pH 5.5): 82.11; (8) ACD/KOC (pH 7.4): 82.11; (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: 1.405; (14) Molar Refractivity: 32.97 cm³; (15) Molar Volume: 134.5 cm³; (16) Polarizability: 13.07×10^-24 cm³; (17) Surface Tension: 25.4 dyne/cm; (18) Density: 1.1 g/cm³; (19) Flash Point: 59 °C; (20) Enthalpy of Vaporization: 40.15 kJ/mol; (21) Boiling Point: 165 °C at 760 mmHg; (22) Vapour Pressure: 1.91 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC1(F)CCC(C=O)CC1
(2) InChI: InChI=1/C7H10F2O/c8-7(9)3-1-6(5-10)2-4-7/h5-6H,1-4H2
(3) InChIKey: DNSDOTKSZMHDOR-UHFFFAOYAL