2H-1-Benzopyran-3-carboxylicacid, 6-chloro-2-oxo- supplier

Name
6-CHLORO-2-OXO-2H-CHROMENE-3-CARBOXYLIC ACID
EINECS 145-458-8
CAS No. 883-92-1
Article Data3
CAS DataBase
Density 1.612 g/cm³
Solubility
Melting Point 193 °C(Solv: ethanol (64-17-5))
Formula C₁₀H₅ClO₄
Boiling Point 426.5 °C at 760 mmHg
Molecular Weight 224.6
Flash Point 211.7 °C
Transport Information
Appearance
Safety 26-36/37/39-45
Risk Codes 34
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Carboxy-6-chlorocoumarin;6-Chlorocoumarin-3-carboxylic acid;NSC 115552;
PSA 67.51000
LogP 2.14460

2H-1-Benzopyran-3-carboxylicacid, 6-chloro-2-oxo- Specification

The 2H-1-Benzopyran-3-carboxylicacid, 6-chloro-2-oxo-, with CAS registry number 883-92-1, has the systematic name of 6-chloro-2-oxo-2H-chromene-3-carboxylic acid. Besides this, it is also called 6-chloro-2-oxochromene-3-carboxylic acid. And the chemical formula of this chemical is C₁₀H₅ClO₄.

Physical properties of 2H-1-Benzopyran-3-carboxylicacid, 6-chloro-2-oxo-: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 52.6 Å²; (11)Index of Refraction: 1.649; (12)Molar Refractivity: 50.76 cm³; (13)Molar Volume: 139.2 cm³; (14)Polarizability: 20.12×10^-24cm³; (15)Surface Tension: 68.8 dyne/cm; (16)Density: 1.612 g/cm³; (17)Flash Point: 211.7 °C; (18)Enthalpy of Vaporization: 71.82 kJ/mol; (19)Boiling Point: 426.5 °C at 760 mmHg; (20)Vapour Pressure: 4.93E-08 mmHg at 25°C.

Preparation: this chemical can be prepared by 6-chloro-2-oxo-2H-chromene-3-carboxylic acid ethyl ester. This reaction will need reagent 20% aq. NaOH. The reaction time is 2 hour(s). The yield is about 94%.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc1OC(=O)/C(=C\c1c2)C(=O)O
(2)InChI: InChI=1/C10H5ClO4/c11-6-1-2-8-5(3-6)4-7(9(12)13)10(14)15-8/h1-4H,(H,12,13)
(3)InChIKey: FOEGEQQPOKZIAB-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C10H5ClO4/c11-6-1-2-8-5(3-6)4-7(9(12)13)10(14)15-8/h1-4H,(H,12,13)
(5)Std. InChIKey: FOEGEQQPOKZIAB-UHFFFAOYSA-N

Product Name

6-CHLORO-2-OXO-2H-CHROMENE-3-CARBOXYLIC ACID

2H-1-Benzopyran-3-carboxylicacid, 6-chloro-2-oxo- Specification

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