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Benzoicacid, 2-fluoro-4-(octyloxy)-

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Name

Benzoicacid, 2-fluoro-4-(octyloxy)-

EINECS N/A
CAS No. 128895-76-1 Density 1.091 g/cm3
PSA 46.53000 LogP 4.26320
Solubility N/A Melting Point N/A
Formula C15H21FO3 Boiling Point 364 °C at 760 mmHg
Molecular Weight 268.32 Flash Point 174 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 128895-76-1 (2-FLUORO-4-N-OCTYLOXYBENZOIC ACID) Hazard Symbols IrritantXi
Synonyms

2-Fluoro-4-(octyloxy)benzoicacid;2-Fluoro-4-n-octyloxybenzoic acid;

Article Data 2

Benzoicacid, 2-fluoro-4-(octyloxy)- Specification

The Benzoicacid, 2-fluoro-4-(octyloxy)-, with the CAS registry number 128895-76-1, is also known as 2-Fluoro-4-n-octyloxybenzoic acid. This chemical's molecular formula is C15H21FO3 and molecular weight is 268.32. What's more, its systematic name is 2-Fluoro-4-(octyloxy)benzoic acid and it belongs to the product categories of Acids & Esters; Anisoles, Alkyloxy Compounds & Phenylacetates; Fluorine Compounds.

Physical properties of Benzoicacid, 2-fluoro-4-(octyloxy)- are: (1)ACD/LogP: 5.69; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.77; (4)ACD/LogD (pH 7.4): 2.62; (5)ACD/BCF (pH 5.5): 147.75; (6)ACD/BCF (pH 7.4): 10.58; (7)ACD/KOC (pH 5.5): 352.59; (8)ACD/KOC (pH 7.4): 25.26; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 72.28 cm3; (15)Molar Volume: 245.7 cm3; (16)Polarizability: 28.65×10-24 cm3; (17)Surface Tension: 38.4 dyne/cm; (18)Density: 1.091 g/cm3; (19)Flash Point: 174 °C; (20)Enthalpy of Vaporization: 64.38 kJ/mol; (21)Boiling Point: 364 °C at 760 mmHg; (22)Vapour Pressure: 6.15E-06 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 contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(OCCCCCCCC)cc1F
(2)InChI: InChI=1/C15H21FO3/c1-2-3-4-5-6-7-10-19-12-8-9-13(15(17)18)14(16)11-12/h8-9,11H,2-7,10H2,1H3,(H,17,18)
(3)InChIKey: AWPDESKDPDUKRX-UHFFFAOYSA-N

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