CAS No.36865-40-4,1-BROMO-3-ETHOXYPROPANE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	36865-40-4
Name:	1-BROMO-3-ETHOXYPROPANE
Article Data:	15

Formula:	C₅H₁₁BrO
Molecular Weight:	167.046
Synonyms:	Ether,3-bromopropyl ethyl (6CI,7CI);1-Bromo-3-ethoxypropane;3-Bromopropyl ethylether;3-Ethoxypropyl bromide;NSC 91822;
Density:	1.278 g/cm³
Boiling Point:	129.7 °C at 760 mmHg
Flash Point:	44.3 °C
PSA:	9.23000
LogP:	1.80790

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Specification

The Propane, 1-bromo-3-ethoxy-, with the CAS registry number of 36865-40-4, is also known as 3-Bromopropyl ethylether. This chemical's molecular formula is C₅H₁₁BrO and molecular weight is 167.0442. What's more, its IUPAC name is 1-Bromo-3-ethoxypropane.

Physical properties about Propane, 1-bromo-3-ethoxy- are: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 9.23 Å²; (7)Index of Refraction: 1.443; (8)Molar Refractivity: 34.69 cm³; (9)Molar Volume: 130.6 cm³; (10)Surface Tension: 28.9 dyne/cm; (11)Density: 1.278 g/cm³; (12)Flash Point: 44.3 °C; (13)Enthalpy of Vaporization: 35.22 kJ/mol; (14)Boiling Point: 129.7 °C at 760 mmHg; (15)Vapour Pressure: 12.3 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce 2-(3-Ethoxy-propylsulfanyl)-9H-purin-6-ol. The reaction needs reagent DBU and solvent Dimethylformamide. The reaction time is 48 hours with reaction temperature of 20 °C. The yield is about 48 %.

You can still convert the following datas into molecular structure:
(1) SMILES: BrCCCOCC
(2) InChI: InChI=1/C5H11BrO/c1-2-7-5-3-4-6/h2-5H2,1H3
(3) InChIKey: JOZWPJGRGUOZGY-UHFFFAOYAV