Acibenzolar-S-methyl
- Product NameAcibenzolar-S-methyl
- CAS135158-54-2
- CBNumberCB1671847
- MFC8H6N2OS2
- MW210.28
- EINECS420-050-0
- MDL NumberMFCD16656987
- MOL File135158-54-2.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 134-135℃ |
| Boiling point | 267°C (rough estimate) |
| Density | 1.450 |
| vapor pressure | 4.4 x 10-4 Pa (25 °C) |
| refractive index | 1.5690 (estimate) |
| storage temp. | 0-6°C |
| solubility | Chloroform (Slightly), Methanol (Very Slightly) |
| Water Solubility | 7.7 mg l-1 (25 °C) |
| pka | -3.90±0.50(Predicted) |
| form | Solid |
| color | Off-White to Light Beige |
| Henry's Law Constant | 8.3×101 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| Major Application | agriculture environmental |
| InChI | 1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3 |
| InChIKey | UELITFHSCLAHKR-UHFFFAOYSA-N |
| SMILES | CSC(=O)c1cccc2nnsc12 |
| LogP | 3.100 |
| EWG's Food Scores | 1-2 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H315-H317-H319-H335-H410 | |||||||||
| Precautionary statements | P273-P280-P302+P352-P305+P351+P338 | |||||||||
| Hazard Codes | Xi,N | |||||||||
| Risk Statements | 36/37/38-43-50/53 | |||||||||
| Safety Statements | 24/25-37-46-59-60-61 | |||||||||
| RIDADR | UN 3077 9 / PGIII | |||||||||
| WGK Germany | 3 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Aquatic Acute 1 Aquatic Chronic 1 Eye Irrit. 2 Skin Irrit. 2 Skin Sens. 1 STOT SE 3 | |||||||||
| Hazardous Substances Data | 135158-54-2(Hazardous Substances Data) | |||||||||
| Toxicity | LD50 in rats (mg/kg): >2000 orally; >2000 dermally (Ruess) | |||||||||
| NFPA 704: |
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