Introduction：Basic information about CAS 1631-52-3|nereistoxin oxalate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | nereistoxin oxalate |
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| CAS Number | 1631-52-3 | Molecular Weight | 239.31200 |
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| Density | 1.16g/cm3 | Boiling Point | 209.3ºC at 760 mmHg |
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| Molecular Formula | C7H13NO4S2 | Melting Point | / |
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| MSDS | / | Flash Point | 80.4ºC |
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Names
| Name | nereistoxin oxalate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.16g/cm3 |
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| Boiling Point | 209.3ºC at 760 mmHg |
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| Molecular Formula | C7H13NO4S2 |
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| Molecular Weight | 239.31200 |
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| Flash Point | 80.4ºC |
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| Exact Mass | 239.02900 |
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| PSA | 128.44000 |
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| LogP | 0.46720 |
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| Vapour Pressure | 0.204mmHg at 25°C |
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| Index of Refraction | 1.587 |
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| InChIKey | CTHWFFMDTBCNNE-UHFFFAOYSA-N |
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| SMILES | CN(C)C1CSSC1.O=C(O)C(=O)O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- JP0500000
- CAS REGISTRY NUMBER :
- 1631-52-3
- LAST UPDATED :
- 199012
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C5-H11-N-S2.C2-H2-O4
- MOLECULAR WEIGHT :
- 239.33
- WISWESSER LINE NOTATION :
- T5SSTJ DN1&1 &OVVO
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 420 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TDKNAF Takeda Kenkyusho Nempo. Annual Report of the Takeda Research Laboratories. (Osaka, Japan) V.1-28, 1936-69. For publisher information, see TAKHAA. Volume(issue)/page/year: 28,272,1969
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 118 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ABCHA6 Agricultural and Biological Chemistry. (Maruzen Co. Ltd., POB 5050, Tokyo International, Tokyo 100-31, Japan) V.25- 1961- Volume(issue)/page/year: 34,926,1970
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TDKNAF Takeda Kenkyusho Nempo. Annual Report of the Takeda Research Laboratories. (Osaka, Japan) V.1-28, 1936-69. For publisher information, see TAKHAA. Volume(issue)/page/year: 28,272,1969
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 38 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TDKNAF Takeda Kenkyusho Nempo. Annual Report of the Takeda Research Laboratories. (Osaka, Japan) V.1-28, 1936-69. For publisher information, see TAKHAA. Volume(issue)/page/year: 28,272,1969
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 8 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD868-447
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Safety Information
Customs
| HS Code | 2934999090 |
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| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| n,n-dimethyl-1,2-dithiolan-4-amineoxalate |
| nereisotoxin hydrogen oxalate |
| Nercistoxin-hydrogenoxalat |
| nereistoxin |
| 4-N,N-dimethylamino-1,2-dithiolane oxalate |
| nereistoxinhydrogenoxalate |
