7-diethylamino-4-methylcoumarin

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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.