Name: 4-N-DECYLOXY-2-FLUOROBENZOIC ACID
SKU: 106316-02-3

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Basic Information

Molecular Structure:
CAS No.:	106316-02-3
Name:	4-N-DECYLOXY-2-FLUOROBENZOIC ACID
Article Data:	3

Formula:	C₁₇H₂₅FO₃
Molecular Weight:	296.38
Synonyms:	4-N-Decyloxy-2-fluorobenzoic acid;4-(Decyloxy)-2-fluorobenzoic acid;4-Decyloxy-2-fluorobenzoic acid;
Density:	1.063 g/cm³
Boiling Point:	392.8 °C at 760 mmHg
Flash Point:	191.3 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	46.53000
LogP:	5.04340

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Specification

The Benzoic acid,4-(decyloxy)-2-fluoro-, with the CAS registry number 106316-02-3, is also known as 4-N-Decyloxy-2-fluorobenzoic acid. It belongs to the product categories of Benzoic acid; Acids & Esters; Anisoles, Alkyloxy Compounds & Phenylacetates; Fluorine Compounds. This chemical's molecular formula is C₁₇H₂₅FO₃ and molecular weight is 296.38. What's more, its systematic name is 4-(decyloxy)-2-fluorobenzoic acid.

Physical properties of Benzoic acid,4-(decyloxy)-2-fluoro- are: (1)ACD/LogP: 6.75; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.82; (4)ACD/LogD (pH 7.4): 3.68; (5)ACD/BCF (pH 5.5): 940.31; (6)ACD/BCF (pH 7.4): 67.85; (7)ACD/KOC (pH 5.5): 1322.69; (8)ACD/KOC (pH 7.4): 95.45; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 81.55 cm³; (15)Molar Volume: 278.7 cm³; (16)Surface Tension: 37.8 dyne/cm; (17)Density: 1.063 g/cm³; (18)Flash Point: 191.3 °C; (19)Enthalpy of Vaporization: 67.77 kJ/mol; (20)Boiling Point: 392.8 °C at 760 mmHg; (21)Vapour Pressure: 7.13E-07 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. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(OCCCCCCCCCC)cc1F
(2)InChI: InChI=1S/C17H25FO3/c1-2-3-4-5-6-7-8-9-12-21-14-10-11-15(17(19)20)16(18)13-14/h10-11,13H,2-9,12H2,1H3,(H,19,20)
(3)InChIKey: KGDJHFSYERDQGZ-UHFFFAOYSA-N