CAS No.334-61-2,1-Bromo-10-fluorodecane Suppliers

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Basic Information

Molecular Structure:
CAS No.:	334-61-2
Name:	1-Bromo-10-fluorodecane
Article Data:	1

Formula:	C₁₀H₂₀BrF
Molecular Weight:	239.171
Synonyms:	10-Fluorodecyl bromide;1-bromo-10-fluoro-decane;4-01-00-00471 (Beilstein Handbook Reference);
Density:	1.126 g/cm³
Boiling Point:	264.9 °C at 760 mmHg
Flash Point:	117.4 °C
PSA:	0.00000
LogP:	4.47160

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Specification

This chemical is called 1-Bromo-10-fluorodecane, and its systematic name is Decane, 1-bromo-10-fluoro-. With the molecular formula of C₁₀H₂₀BrF, its molecular weight is 239.17. The CAS registry number of this chemical is 334-61-2.

Other characteristics of the 1-Bromo-10-fluorodecane can be summarised as followings: (1)ACD/LogP: 5.15; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.15; (4)ACD/LogD (pH 7.4): 5.15; (5)ACD/BCF (pH 5.5): 4859.37; (6)ACD/BCF (pH 7.4): 4859.37; (7)ACD/KOC (pH 5.5): 15151.19; (8)ACD/KOC (pH 7.4): 15151.19; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Index of Refraction: 1.443; (13)Molar Refractivity: 56.27 cm³; (14)Molar Volume: 212.2 cm³; (15)Polarizability: 22.3×10^-24cm³; (16)Surface Tension: 28.7 dyne/cm; (17)Density: 1.126 g/cm³; (18)Flash Point: 117.4 °C; (19)Enthalpy of Vaporization: 48.25 kJ/mol; (20)Boiling Point: 264.9 °C at 760 mmHg; (21)Vapour Pressure: 0.0155 mmHg at 25°C.

Production method of this chemical: The 1-Bromo-10-fluorodecane could be obtained by the reactant of 10-bromo-decan-1-ol. This reaction needs the reagent of (diethylamino)sulfur trifluoride, and the solvent of CH₂Cl₂. The yield is 82 %.

You can still convert the following datas into molecular structure:
1.SMILES: BrCCCCCCCCCCF
2.InChI: InChI=1/C10H20BrF/c11-9-7-5-3-1-2-4-6-8-10-12/h1-10H2
3.InChIKey: DYOWVHGOABEVDK-UHFFFAOYAT

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	20mg/kg (20mg/kg)		Journal of Organic Chemistry. Vol. 21, Pg. 748, 1956.