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Name |
2H-1-Benzopyran-2-one,5-chloro- |
EINECS | N/A |
CAS No. | 38169-98-1 | Density | 1.399 g/cm3 |
PSA | 30.21000 | LogP | 2.44640 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H5ClO2 | Boiling Point | 332 °C at 760 mmHg |
Molecular Weight | 180.59 | Flash Point | 179.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Chlorocoumarin;NSC 26427; |
Article Data | 10 |
The 2H-1-Benzopyran-2-one,5-chloro- is an organic compound with the formula C9H5ClO2. The IUPAC name of this chemical is 5-chlorochromen-2-one. With the CAS registry number 38169-98-1, it is also named as 5-chloro-2h-chromen-2-one.
Physical properties about 2H-1-Benzopyran-2-one,5-chloro- are: (1)ACD/LogP: 1.99; (2)#H bond acceptors: 2; (3)Polar Surface Area: 26.3 ?2; (4)Index of Refraction: 1.608; (5)Molar Refractivity: 44.66 cm3; (6)Molar Volume: 129 cm3; (7)Polarizability: 17.7×10-24cm3; (8)Surface Tension: 49.7 dyne/cm; (9)Density: 1.399 g/cm3; (10)Flash Point: 179.8 °C; (11)Enthalpy of Vaporization: 57.47 kJ/mol; (12)Boiling Point: 332 °C at 760 mmHg; (13)Vapour Pressure: 0.00015 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cccc2OC(=O)/C=C\c12
(2)InChI: InChI=1/C9H5ClO2/c10-7-2-1-3-8-6(7)4-5-9(11)12-8/h1-5H
(3)InChIKey: VYFHMNIBSWVKIH-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C9H5ClO2/c10-7-2-1-3-8-6(7)4-5-9(11)12-8/h1-5H
(5)Std. InChIKey: VYFHMNIBSWVKIH-UHFFFAOYSA-N