Introduction：Basic information about CAS 56187-09-8|hexacyclen trisulfate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | hexacyclen trisulfate |
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| CAS Number | 56187-09-8 | Molecular Weight | 552.64200 |
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| Density | / | Boiling Point | 449.8ºC at 760 mmHg |
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| Molecular Formula | C12H36N6O12S3 | Melting Point | / |
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| MSDS | / | Flash Point | 243.9ºC |
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Names
| Name | hexacyclen trisulfate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Boiling Point | 449.8ºC at 760 mmHg |
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| Molecular Formula | C12H36N6O12S3 |
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| Molecular Weight | 552.64200 |
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| Flash Point | 243.9ºC |
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| Exact Mass | 552.15500 |
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| PSA | 321.12000 |
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| LogP | 0.79440 |
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| InChIKey | UXVDKNLOZWKLJC-UHFFFAOYSA-N |
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| SMILES | C1CNCCNCCNCCNCCNCCN1.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- MK9330000
- CAS REGISTRY NUMBER :
- 56187-09-8
- LAST UPDATED :
- 198608
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C12-H30-N6.3H2-O4-S
- MOLECULAR WEIGHT :
- 552.72
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 8,451,1985
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 8,451,1985 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 852 mg/kg
- TOXIC EFFECTS :
- Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 8,451,1985
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 327 mg/kg
- TOXIC EFFECTS :
- Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 8,451,1985
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Safety Information
| Hazard Codes | C |
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| Risk Phrases | 34 |
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| Safety Phrases | S26;S45;S36/S37/S39 |
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| RIDADR | UN 3261 8/PG 2 |
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| Packaging Group | III |
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Synonyms
| HEXAAZA-18-CROWN-6 TRISULFATE |
| 1,4,7,10,13,16-HEXAAZACYCLOOCTADECANE TRISULFATE |
| 1,4,7,10,13,16-hexaazacyclooctadecane*3H2SO4 |
| 1,4,7,10,13,16-hexaazacyclooctadecane trisulfate salt |
| Hexacyclen trisulfate salt |
| KRYPTOFIX 22 AZA TRISULFATE |
| hexaaza-18-crown-6 sulfuric acid salt |
| hexacyclen sulfuric acid salt |
| 1,4,7,10,13,16-hexaazacyclooctadecane sulfuric acid salt |
| 1,4,7,10,13,16-hexaazacyclooctadecane trisulfuric acid |
| MFCD00013154 |
