CAS No.51085-91-7,6-Bromochromone-3-carboxylic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	51085-91-7
Name:	6-Bromochromone-3-carboxylic acid
Article Data:	6

Formula:	C₁₀H₅BrO₄
Molecular Weight:	269.051
Synonyms:	6-Bromo chromone-3-carboxylic acid;
Density:	1.874 g/cm³
Melting Point:	191-193℃
Boiling Point:	397.8 °C at 760 mmHg
Flash Point:	194.4 °C
PSA:	67.51000
LogP:	2.25370

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Specification

The CAS registry number of 6-Bromochromone-3-carboxylic acid is 51085-91-7. It belongs to the product categories of Aromatic Carboxylic Acids; Anilides. This chemical is also named as 4H-1-Benzopyran-3-carboxylic acid, 6-bromo-4-oxo-. In addition, its molecular formula is C₁₀H₅BrO₄ and molecular weight is 269.05. Its systematic name is called 6-bromo-4-oxo-4H-chromene-3-carboxylic acid.

Physical properties about this chemical are: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.07; (4)ACD/LogD (pH 7.4): -1.58; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.669; (13)Molar Refractivity: 53.56 cm³; (14)Molar Volume: 143.5 cm³; (15)Surface Tension: 70 dyne/cm; (16)Density: 1.874 g/cm³; (17)Flash Point: 194.4 °C; (18)Enthalpy of Vaporization: 68.36 kJ/mol; (19)Boiling Point: 397.8 °C at 760 mmHg.

Uses of 6-Bromochromone-3-carboxylic acid: it can be used to produce 1-[1-benzoyl-4-(5-bromo-2-hydroxy-phenyl)-4-oxo-but-2-enyl]-pyridinium and bromide by heating. It will need reagent K₂CO₃and solvent acetone with reaction time of 8 hours. The yield is about 52 %.

6-Bromochromone-3-carboxylic acid can be used to produce 1-[1-benzoyl-4-(5-bromo-2-hydroxy-phenyl)-4-oxo-but-2-enyl]-pyridinium and bromide

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc1O/C=C(\C(=O)c1c2)C(=O)O
(2)InChI: InChI=1/C10H5BrO4/c11-5-1-2-8-6(3-5)9(12)7(4-15-8)10(13)14/h1-4H,(H,13,14)
(3)InChIKey: IJTWNMVKNJSGMS-UHFFFAOYAT