Introduction:Basic information about CAS 80689-16-3|6-Methoxy-4-methyl-2(3H)-benzothiazolone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 6-Methoxy-4-methyl-2(3H)-benzothiazolone |
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| CAS Number | 80689-16-3 | Molecular Weight | 195.23800 |
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| Density | 1.294g/cm3 | Boiling Point | / |
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| Molecular Formula | C9H9NO2S | Melting Point | / |
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| MSDS | / | Flash Point | / |
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Names
| Name | 6-methoxy-4-methyl-3H-1,3-benzothiazol-2-one |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.294g/cm3 |
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| Molecular Formula | C9H9NO2S |
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| Molecular Weight | 195.23800 |
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| Exact Mass | 195.03500 |
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| PSA | 70.33000 |
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| LogP | 1.90660 |
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| Index of Refraction | 1.61 |
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| InChIKey | SOZONSXBIDNNRB-UHFFFAOYSA-N |
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| SMILES | COc1cc(C)c2[nH]c(=O)sc2c1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DL7150000
- CHEMICAL NAME :
- 2(3H)-Benzothiazolone, 6-methoxy-4-methyl-
- CAS REGISTRY NUMBER :
- 80689-16-3
- LAST UPDATED :
- 199606
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C9-H9-N-O2-S
- MOLECULAR WEIGHT :
- 195.25
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 7580 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- GWXXBX German Offenlegungsschrift Patent Document. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #3345702
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 9 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- EPXXDW European Patent Application. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #39818
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Synonyms
| 2(3H)-Benzothiazolone,6-methoxy-4-methyl |
| 6-Methoxy-4-methyl-2(3H)-benzothiazolone |
| 6-Methoxy-4-methyl-2(3H)-benzothiazolon [German] |