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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