7-Bromobenzofuran-2-carboxylic acid supplier

Name
7-Bromo-1-benzofuran-2-carboxylicacid
EINECS
CAS No. 550998-59-9
Article Data2
CAS DataBase
Density 1.784 g/cm³
Solubility
Melting Point
Formula C₉H₅BrO₃
Boiling Point 370.9 °C at 760 mmHg
Molecular Weight 241.041
Flash Point 178.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 7-bromo-1-benzofuran-2-carboxylic acid;7-bromobenzofuran-2-carboxylic acid;
PSA 50.44000
LogP 2.89350

7-Bromobenzofuran-2-carboxylic acid Specification

The 7-Bromobenzofuran-2-carboxylic acid, with the CAS registry number 550998-59-9, is also known as 2-Benzofurancarboxylic acid, 7-bromo-. This chemical's molecular formula is C₉H₅BrO₃ and molecular weight is 241.04. Its systematic name is called 7-bromo-1-benzofuran-2-carboxylic acid.

Physical properties of 7-Bromobenzofuran-2-carboxylic acid: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.68; (4)ACD/LogD (pH 7.4): 0.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.08; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.679; (13)Molar Refractivity: 51.01 cm³; (14)Molar Volume: 135 cm³; (15)Surface Tension: 61.1 dyne/cm; (16)Density: 1.784 g/cm³; (17)Flash Point: 178.1 °C; (18)Enthalpy of Vaporization: 65.18 kJ/mol; (19)Boiling Point: 370.9 °C at 760 mmHg; (20)Vapour Pressure: 3.71E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1cc2cccc(Br)c2o1
(2)InChI: InChI=1/C9H5BrO3/c10-6-3-1-2-5-4-7(9(11)12)13-8(5)6/h1-4H,(H,11,12)
(3)InChIKey: OPYANDYWSZSRSD-UHFFFAOYAD

Product Name

7-Bromo-1-benzofuran-2-carboxylicacid

7-Bromobenzofuran-2-carboxylic acid Specification

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