CAS No.58832-36-3,2-Bromofuran-4-carboxylic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	58832-36-3
Name:	2-Bromofuran-4-carboxylic acid
Article Data:	13

Formula:	C₅H₃BrO₃
Molecular Weight:	190.981
Synonyms:	2-Bromofuran-4-carboxylicacid;5-Bromo-3-furancarboxylic acid;
Density:	1.892 g/cm³
Boiling Point:	279.401 °C at 760 mmHg
Flash Point:	122.777 °C
Hazard Symbols:	Xi
PSA:	50.44000
LogP:	1.74030

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Specification

This chemical is called 3-Furancarboxylic acid, 5-bromo-, and its systematic name is 5-bromofuran-3-carboxylic acid. With the molecular formula of C₅H₃BrO₃, its molecular weight is 190.98. The CAS registry number of this chemical is 58832-36-3. Additionally, its product categories are Furan; Halogenated; Organohalides.

Other characteristics of the 3-Furancarboxylic acid, 5-bromo- can be summarised as followings: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 50.44 Å²; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 33.173 cm³; (15)Molar Volume: 100.942 cm³; (16)Polarizability: 13.151×10^-24cm³; (17)Surface Tension: 54.191 dyne/cm; (18)Density: 1.892 g/cm³; (19)Flash Point: 122.777 °C; (20)Enthalpy of Vaporization: 54.723 kJ/mol; (21)Boiling Point: 279.401 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: OC(=O)c1coc(Br)c1
2.InChI: InChI=1/C5H3BrO3/c6-4-1-3(2-9-4)5(7)8/h1-2H,(H,7,8)
3.InChIKey: XYBPFWUNJQTZCM-UHFFFAOYAJ