7-diethylamino-4-methylcoumarin
Structural formula
| Business number | 023H |
|---|---|
| Molecular formula | C14H17NO2 |
| Molecular weight | 231.29 |
| label |
4-Methyl-7-N,N-diethylaminocoumarin, 7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one, Coumarin 1, 7-(Diethylamino)-4-methyl-2H-chromen-2-one, functional dyes, functional pigments, functional dyes, Functional pigments, Coumarins and related dyes, coumarins and related dyes |
Numbering system
CAS number:91-44-1
MDL number:MFCD00006864
EINECS number:202-068-9
RTECS number:GN6370000
BRN number:193303
PubChem number:24894226
Physical property data
1. Properties: White needle-like crystals.
2. Density (g/mL, 25/4℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 69-71
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 5.2kPa): Undetermined
7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Undetermined Determined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (kPa, 25ºC): Not determined
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. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit ( %, V/V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Soluble in methanol, ethanol, ethylene glycol alcohol. Insoluble in water.
Toxicological data
Acute toxicity:
Oral LD50 1780mg/kg(mus)
5000mg/kg(rat)
Main irritant effects:
On skin: Irritation to skin and mucous membranes
On eyes: Irritating effects
Sensitization: No known sensitizing effects
Ecology��Data
General remarks
Water hazard level 1 (German regulations) (self-assessment via list) This substance is slightly hazardous to water.
Do not allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems.
Do not discharge materials into the surrounding environment without government permission.
Molecular structure data
1. Molar refractive index: 68.04
2. Molar volume (cm3/mol): 206.0
3. Isotonic specific volume (90.2K ): 526.7
4. Surface tension (dyne/cm): 42.6
5. Polarizability (10-24cm3): 26.97
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 29.5
7. Number of heavy atoms: 17
8. Surface charge: 0
9. Complexity: 320
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
None
Storage method
Should be stored sealed in a cool, dark place.
Synthesis method
It is formed by the condensation of m-diethylaminophenol and ethyl acetoacetate.
Purpose
Used for tunable dye lasers that use flash, nitrogen molecules, argon ions, rubies, etc. as pump light sources.