CAS No.6550-99-8,2-BUTOXYETHYL BROMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6550-99-8
Name:	2-BUTOXYETHYL BROMIDE
Article Data:	11

Formula:	C₆H₁₃BrO
Molecular Weight:	181.073
Synonyms:	Ether,2-bromoethyl butyl (7CI,8CI);1-(2-Bromoethoxy)butane;1-Butoxy-2-bromoethane;2-Bromoethyl butyl ether;2-Butoxyethyl bromide;
Density:	1.23 g/cm³
Boiling Point:	178.7 °C at 760 mmHg
Flash Point:	69.9 °C
PSA:	9.23000
LogP:	2.19800

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Specification

This chemical is called Butane,1-(2-bromoethoxy)-, and its systematic name is 1-(2-Bromoethoxy)butane. With the molecular formula of C₆H₁₃BrO, its molecular weight is 181.07. The CAS registry number of the chemical is 6550-99-8.

Other characteristics of Butane,1-(2-bromoethoxy)- can be summarised as followings: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.49; (4)ACD/LogD (pH 7.4): 2.49; (5)ACD/BCF (pH 5.5): 46; (6)ACD/BCF (pH 7.4): 46; (7)ACD/KOC (pH 5.5): 539.24; (8)ACD/KOC (pH 7.4): 539.24; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.447; (14)Molar Refractivity: 39.32 cm³; (15)Molar Volume: 147.1 cm³; (16)Polarizability: 15.58×10^-24cm³; (17)Surface Tension: 29.4 dyne/cm; (18)Density: 1.23 g/cm³; (19)Flash Point: 69.9 °C; (20)Enthalpy of Vaporization: 39.79 kJ/mol; (21)Boiling Point: 178.7 °C at 760 mmHg; (22)Vapour Pressure: 1.32 mmHg at 25°C.

Production method of this chemical: The Butane,1-(2-bromoethoxy)- could be obtained by the reactant of 2-Butoxy-ethanol. This reaction needs the reagent of PBr₃, pyridine, and the solvent of Benzene. The yield is 40 %. In addition, this reaction should be taken for 56 hours.

Uses of this chemical: The Butane,1-(2-bromoethoxy)- could react with 2-Chloro-1H-benzoimidazole, and obtain the 1-(2-Butoxy-ethyl)-2-chloro-1H-benzoimidazole. This reaction needs the reagent of 33Percent aq. NaOH, and the solvent of Dimethylformamide. The yield is 52 %. In addition, this reaction should be taken for 3.5 hours at the temperature of 60 °C.

The Butane,1-(2-bromoethoxy)- could react with 2-Chloro-1H-benzoimidazole, and obtain the 1-(2-Butoxy-ethyl)-2-chloro-1H-benzoimidazole

You can still convert the following datas into molecular structure:
1.SMILES: BrCCOCCCC
2.InChI: InChI=1/C6H13BrO/c1-2-3-5-8-6-4-7/h2-6H2,1H3
3.InChIKey: WOLUYEFMPZAHNN-UHFFFAOYAE
4.Std. InChI: InChI=1S/C6H13BrO/c1-2-3-5-8-6-4-7/h2-6H2,1H3
5.Std. InChIKey: WOLUYEFMPZAHNN-UHFFFAOYSA-N