structural formula
| business number | 028l |
|---|---|
| molecular formula | c8h14clns2 |
| molecular weight | 223.79 |
| label |
grass kills, caicao special, thioallate,vegedex, herbicide |
numbering system
cas number:95-06-7
mdl number:mfcd00048530
einecs number:202-388-9
rtecs number:ez5075000
brn number:1772271
pubchem number:24869212
physical property data
none
toxicological data
1. acute toxicity: rat oral ld50: 850mg/kg; rabbit skin contact ld50: 2200mg/kg;
2. chronic toxicity/carcinogenicity
large rat oral tdlo: 6825mg/kg/78w-c; mouse oral tdlo: 59mg/kg/78w-c; rat oral td: 11mg/kg/78w-i; mouse oral td: 120mg/kg /78w-i;
1. mutagenicity
mutation of salmonella typhimurium: 10μl/plate;
mutation of salmonella typhimurium: 10μg/plate ;
microbial mutation: 1100μg/plate;
aspergillus nidulans mutation: 20μl/plate;
dna inhibition of human lymphocytes: 500mg/l;
dna inhibition of rat cells: 1mg/l;
ecological data
none
molecular structure data
1. molar refractive index: 62.53
2. molar volume (cm3/mol): 193.0
3. isotonic specific volume (90.2k ): 496.9
4. surface tension (dyne/cm): 43.8
5. polarizability (10-24cm3): 24.79
compute chemical data
1. hydrophobic parameter calculation reference value (xlogp): 3.1
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 0
4. number of rotatable chemical bonds: 5
5. number of tautomers:
6. topological molecular polar surface area (tpsa): 3.2
7. number of heavy atoms: 12
8. surface charge: 0
9. complexity: 166
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 number: 0
14. number of uncertain chemical bond stereocenters: 0
15. number of covalent bond units: 1
properties and stability
none
storage method
none
synthesis method
none
purpose
none
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