5-Bromobenzofuran-2-carboxylic acid supplier

Name
5-BROMO-1-BENZOFURAN-2-CARBOXYLIC ACID
EINECS
CAS No. 10242-11-2
Article Data20
CAS DataBase
Density 1.784 g/cm³
Solubility
Melting Point 257 °C
Formula C₉H₅BrO₃
Boiling Point 370.9 °C at 760 mmHg
Molecular Weight 241.041
Flash Point 178.1 °C
Transport Information
Appearance
Safety 22-26-36/37/39
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms 5-Bromo-1-benzofuran-2-carboxylicacid;5-Bromo-2-benzo[b]furancarboxylic acid;5-Bromobenzo[b]furan-2-carboxylicacid;5-Bromobenzofuran-2-carboxylic acid;5-Bromocoumarilic acid;
PSA 50.44000
LogP 2.89350

5-Bromobenzofuran-2-carboxylic acid Specification

The 2-Benzofurancarboxylicacid, 5-bromo-, with the CAS registry number 10242-11-2, is also known as 5-Bromobenzofuran-2-carboxylic acid. This chemical's molecular formula is C₉H₅BrO₃ and molecular weight is 241.04. What's more, its systematic name is 5-bromo-1-benzofuran-2-carboxylic acid.

Physical properties of 2-Benzofurancarboxylicacid, 5-bromo- are: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.71; (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): 4.3; (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: 39.44 Å²; (13)Index of Refraction: 1.679; (14)Molar Refractivity: 51.01 cm³; (15)Molar Volume: 135 cm³; (16)Polarizability: 20.22×10^-24cm³; (17)Surface Tension: 61.1 dyne/cm; (18)Density: 1.784 g/cm³; (19)Flash Point: 178.1 °C; (20)Enthalpy of Vaporization: 65.18 kJ/mol; (21)Boiling Point: 370.9 °C at 760 mmHg; (22)Vapour Pressure: 3.71E-06 mmHg at 25°C.

Preparation of 2-Benzofurancarboxylicacid, 5-bromo-: this chemical can be prepared by 1-(5-bromo-benzofuran-2-yl)-ethanone. The yield is about 77%.

2-Benzofurancarboxylicacid, 5-bromo- can be prepared by 1-(5-bromo-benzofuran-2-yl)-ethanone

Uses of 2-Benzofurancarboxylicacid, 5-bromo-: it can be used to produce 5-bromo-2-benzofurancarboxylic acid methyl ester by heating. It will need reagent conc. H₂SO₄ with the reaction time of 15 hours. The yield is about 95%.

2-Benzofurancarboxylicacid, 5-bromo- can be used to produce 5-bromo-2-benzofurancarboxylic acid methyl ester by heating

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2cc1c(oc(c1)C(=O)O)cc2
(2)InChI: InChI=1S/C9H5BrO3/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H,11,12)
(3)InChIKey: QKUWZCOVKRUXKX-UHFFFAOYSA-N

Product Name

5-BROMO-1-BENZOFURAN-2-CARBOXYLIC ACID

5-Bromobenzofuran-2-carboxylic acid Specification

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