2-Benzoxazolone 2-Benzoxazolinone
Structural formula
| Business number | 01AF |
|---|---|
| Molecular formula | C7H5NO2 |
| Molecular weight | 135 |
| label |
2-Benzoxazolinone, 2-Hydroxybenzoxazole |
Numbering system
CAS number:59-49-4
MDL number:MFCD00005716
EINECS number:200-430-0
RTECS number:DM4905000
BRN number:119481
PubChem number:24849654
Physical property data
1. Character: Crystal
2. Density (g/mL, 25/4℃): Undetermined
3. Relative vapor density (g/mL, air = 1): Undetermined
4. Melting point (ºC): 137～139
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 5.2kPa): Not determined
7. Refractive index: Not determined
8. Flash point (ºC): 160
9. Ratio Optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa, 25ºC): Undetermined
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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. Explosion lower limit (%, V/V): Undetermined
19. Solubility: soluble in water.
Toxicological data
1. Acute toxicity: rat oral LD50: 700mg/kg; mouse oral LD50: 554mg/kg; mouse abdominal LD50: 400mg/kg; mammal LC50: 3892mg/m3
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 34.28
2. Molar volume (cm3/mol): 102.0
3. Isotonic specific volume (90.2K): 266.1
4. Surface tension (dyne/cm): 46.1
5. Polarizability (10-24cm3): 13.59
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
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: 2
6. Topological molecule polar surface area 38.3
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 158
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 stereocenters of chemical bonds: 0
14. Uncertain number of stereocenters of chemical bonds: 0
15. Covalent bonds Number of units: 1
Properties and stability
None yet
Storage method
This product should be kept sealed.
Synthesis method
None yet
Purpose
Plant protection agent. Intermediates for pharmaceuticals and dyes.