structural formula
| business number | 03wu |
|---|---|
| molecular formula | c8h10o5 |
| molecular weight | 186 |
| label |
ring grass cord, algae cord, grass cord, hydout,aquathol,hydrothol,niagrathal, plant growth regulator |
numbering system
cas number:145-73-3
mdl number:none
einecs number:205-660-5
rtecs number:rn7875000
brn number:none
pubchem id:none
physical property data
1. properties: white solid. tasteless.
2. solubility (g/100g, 20℃): water 10, acetone 7, benzene 0.01, methanol 28. it shrinks to anhydride at 90℃, and the melting point of anhydride is 144℃.
toxicological data
1. acute toxicity: rat oral ld50: 38 mg/kg; rat transdermal ld50: >1 gm/kg; mouse intraperitoneal ld: 14 mg/kg.
ecological data
this substance may be harmful to the environment, and special attention should be paid to water bodies.
molecular structure data
1. molar refractive index: 39.54
2. molar volume (cm3/mol): 120.7
3. isotonic specific volume (90.2k): 347.8
4. surface tension (dyne/cm): 68.8
5. polarizability (10-24cm3): 15.67
compute chemical data
1. reference value for calculation of hydrophobic parameters (xlogp): -0.5
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 5
4. number of rotatable chemical bonds: 2
5. number of tautomers: none
6. topological molecule polar surface area 83.8
7. number of heavy atoms: 13
8. surface charge: 0
9. complexity: 235
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 4
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
toxic! the median lethal dose (rat, oral) is 38 mg/kg. irritating to skin. into the abdomen causing diarrhea and vomiting.
storage method
save in a dry and cool place.
synthesis method
none
purpose
herbicides. cotton defoliant. aquatic herbicide. algaecide. pesticide standards.
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