Structural formula
Business number | 03M3 |
---|---|
Molecular formula | C14H8N2O |
Molecular weight | 220.23 |
label |
1,9-Pyrazoloanthrone, aromatic compounds |
Numbering system
CAS number:129-56-6
MDL number:MFCD00022289
EINECS number:204-955-6
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Appearance: yellow or dark yellow powder
2. Boiling point (ºC): 282
Toxicological data
1. Acute toxicity: Mouse intravenous LD5O: 178mg/kg
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 64.29
2. Molar volume (cm3/mol): 150.4
3. Isotonic specific volume (90.2K ): 451.4
4. Surface tension (dyne/cm): 80.9
5. Polarizability (10-24cm3): 25.48
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.7
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 3
6. Topological molecule polar surface area 45.8
7. Number of heavy atoms: 17
8. Surface charge: 0
9. Complexity: 343
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
Low toxic. Long-term exposure may cause skin allergies and other symptoms. Operators should wear work clothes. Direct contact with skin should be avoided during operation.
Storage method
None yet
Synthesis method
The diazotization method is mainly used to use 1-aminoanthraquinone as raw material, diazotize with sodium nitrite, reduce with sodium sulfite, dehydrate and then close the cup with sulfuric acid to obtain crude pyrazoleanthraquinone, which is then diluted, filtered, washed, Obtained by drying.
Purpose
Dye intermediates. Mainly used to produce vat gray M and other dyes.
Pyrazole anthrone can obtain useful derivatives through simple substitution and produce a variety of vat dyes.