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4828-13-1

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Basic Information
CAS No.: 4828-13-1
Name: 2-(diethoxymethyl)-4,5-dibromofuran
Article Data: 4
Molecular Structure:
Molecular Structure of 4828-13-1 (2-(diethoxymethyl)-4,5-dibromofuran)
Formula: C9H12Br2O3
Molecular Weight: 328
Synonyms: 2-(Diethoxymethyl)-4,5-dibromofuran;2-Furaldehyde,4,5-dibromo-, diethyl acetal (7CI,8CI);2,3-Dibromo-5-(diethoxymethyl)furan;
Density: 1.636 g/cm3
Boiling Point: 264 °C at 760 mmHg
Flash Point: 113.4 °C
PSA: 31.60000
LogP: 3.87620
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Specification

The CAS registry number of Furan,2,3-dibromo-5-(diethoxymethyl)- is 4828-13-1. The systematic name is 2,3-dibromo-5-(diethoxymethyl)furan. In addition, the molecular formula is C9H12Br2O3 and the molecular weight is 328. It is also called 2-(diethoxymethyl)-4,5-dibromofuran. What's more, it should be stored in a cool and dry place.

Physical properties about Furan,2,3-dibromo-5-(diethoxymethyl)- are: (1)ACD/LogP: 4.07; (2)ACD/LogD (pH 5.5): 4.07; (3)ACD/LogD (pH 7.4): 4.07; (4)ACD/BCF (pH 5.5): 730.68; (5)ACD/BCF (pH 7.4): 730.68; (6)ACD/KOC (pH 5.5): 3903.52; (7)ACD/KOC (pH 7.4): 3903.52; (8)#H bond acceptors: 3 ; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 31.6 Å2; (11)Index of Refraction: 1.519; (12)Molar Refractivity: 60.87 cm3; (13)Molar Volume: 200.4 cm3; (14)Polarizability: 24.13 ×10-24cm3; (15)Surface Tension: 37.5 dyne/cm; (16)Density: 1.636 g/cm3; (17)Flash Point: 113.4 °C; (18)Enthalpy of Vaporization: 48.16 kJ/mol; (19)Boiling Point: 264 °C at 760 mmHg; (20)Vapour Pressure: 0.0163 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(c1cc(c(o1)Br)Br)OCC
(2)InChI: InChI=1/C9H12Br2O3/c1-3-12-9(13-4-2)7-5-6(10)8(11)14-7/h5,9H,3-4H2,1-2H3
(3)InChIKey: WCKXAULJUIQHHA-UHFFFAOYAS