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.
