5,7-dimethoxycoumarin

5,7-dimethoxycoumarin structural formula

Structural formula

Business number 0537
Molecular formula C11H10O4
Molecular weight 206.21
label

5,7-dimethoxycoumarin,

5,7-dimethoxycoumarin,

white limonin

Numbering system

CAS number:487-06-9

MDL number:MFCD00006870

EINECS number:207-646-4

RTECS number:GN6530000

BRN number:None

PubChem number:24847274

Physical property data

1. Character: Undetermined


2. Density (g/ m3,25/4): Undetermined


3. Relative vapor density (g/cm3, Air =1): Undetermined


4. Melting point (ºC):146-149


5. Boiling point (ºC,Normal pressure): Undetermined


6. Boiling point (ºC,5.2kPa): Undetermined


7. Refractive Index: Undetermined


8. Flash Point (ºF): Undetermined


9. Specific optical rotation (º): Undetermined


10. Autoignition point or ignition temperature (ºC): Undetermined


11. Vapor pressure (kPa,25ºC): Undetermined


12. Saturated vapor pressure (kPa,60ºC): Undetermined


13. Heat of combustion (KJ/mol): Undetermined


14. Critical temperature (ºC): Undetermined


15. Critical pressure (KPa): Undetermined


16. Oil and water (octanol/Log value of water) partition coefficient: Undetermined


17. Explosion limit (%,V/V): Undetermined


18. Lower explosion limit (%,V/V): Undetermined


19. Solubility: Undetermined

Toxicological data

Mutagenicity data:Sister Chromatids exchangeTESTSystem: human lymphocytes:100 umol/L

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1 Molar refractive index:53.12


2 Molar volumem3/mol):165.1


3 Isotonic specific volume90.2K):21422.8


4 Surface tension(3.0 dyne/cm) :43.0


5 , Polarizability(0.5 10-24cm3 ):21.05

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.9

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 44.8

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 274

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Use and store according to specifications, no decomposition will occur, and avoid contact with oxides

Storage method

2-8°C


Seal and store in a ventilated, dry environment

Synthesis method

None

Purpose

None yet

Resource:allhdi.com

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.allhdi.com/archives/48898

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