CAS No.22515-16-8,4,4-DIFLUOROHEPTANEDIOIC ACID DIETHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	22515-16-8
Name:	4,4-DIFLUOROHEPTANEDIOIC ACID DIETHYL ESTER
Article Data:	3

Formula:	C₁₁H₁₈F₂O₄
Molecular Weight:	252.258
Synonyms:	Heptanedioicacid, 4,4-difluoro-, diethyl ester (8CI,9CI);
Density:	1.106 g/cm³
Boiling Point:	254.81 °C at 760 mmHg
Flash Point:	104.76 °C
Hazard Symbols:	Xi
Safety:	24/25
PSA:	52.60000
LogP:	2.30830

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Specification

The 4,4-Difluoroheptanedioic acid diethyl ester, with the CAS registry number 22515-16-8, is also known as Heptanedioic acid, 4,4-difluoro-, diethyl ester. This chemical's molecular formula is C₁₁H₁₈F₂O₄ and formula weight is 252.26. What's more, its systematic name is called Diethyl 4,4-difluoroheptanedioate.

Physical properties about this chemical are: (1)ACD/LogP: 2.00; (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): 38; (6)ACD/BCF (pH 7.4): 38; (7)ACD/KOC (pH 5.5): 468; (8)ACD/KOC (pH 7.4): 468; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.413; (14)Molar Refractivity: 56.853 cm³; (15)Molar Volume: 228.018 cm³; (16)Surface Tension: 29.936 dyne/cm; (17)Density: 1.106 g/cm³; (18)Flash Point: 104.76 °C; (19)Enthalpy of Vaporization: 49.226 kJ/mol; (20)Boiling Point: 254.81 °C at 760 mmHg; (21)Vapour Pressure: 0.017 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(CCC(=O)OCC)CCC(=O)OCC
(2)InChI: InChI=1/C11H18F2O4/c1-3-16-9(14)5-7-11(12,13)8-6-10(15)17-4-2/h3-8H2,1-2H3
(3)InChIKey: XUOBBVMKXUPPEW-UHFFFAOYAU