Introduction:Basic information about CAS 3032-55-1|2-methyl-2-[(nitrooxy)methyl]propane-1,3-diyl dinitrate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-methyl-2-[(nitrooxy)methyl]propane-1,3-diyl dinitrate |
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| CAS Number | 3032-55-1 | Molecular Weight | 255.14000 |
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| Density | 1.513 g/cm3 | Boiling Point | 343.8ºC at 760 mmHg |
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| Molecular Formula | C5H9N3O9 | Melting Point | / |
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| MSDS | / | Flash Point | 159.6ºC |
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Names
| Name | [2-methyl-3-nitrooxy-2-(nitrooxymethyl)propyl] nitrate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.513 g/cm3 |
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| Boiling Point | 343.8ºC at 760 mmHg |
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| Molecular Formula | C5H9N3O9 |
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| Molecular Weight | 255.14000 |
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| Flash Point | 159.6ºC |
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| Exact Mass | 255.03400 |
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| PSA | 165.15000 |
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| LogP | 1.18720 |
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| Index of Refraction | 1.487 |
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| InChIKey | IPPYBNCEPZCLNI-UHFFFAOYSA-N |
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| SMILES | CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-] |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- TY7270000
- CHEMICAL NAME :
- 1,3-Propanediol, 2-(hydroxymethyl)-2-methyl-, trinitrate (ester)
- CAS REGISTRY NUMBER :
- 3032-55-1
- BEILSTEIN REFERENCE NO. :
- 1714870
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C5-H9-N3-O9
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1027 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex) Behavioral - muscle contraction or spasticity Behavioral - irritability
- REFERENCE :
- ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 12,610,1993
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 658 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex) Behavioral - tremor Behavioral - muscle contraction or spasticity
- REFERENCE :
- ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 12,610,1993
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >2 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 12,608,1993
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Safety Information
| RIDADR | 0473 |
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| Hazard Class | 1.1A |
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Synonyms
| Trimethylolethane trinitrate |
| Nitropentaglycerin |
| 2-methyl-1,3-bis-nitrooxy-2-nitrooxymethyl-propane |
| 1,1,1-Trimethylolethane trinitrate |
| 1,3-Propanediol,2-methyl-2-[(nitrooxy)methyl]-,dinitrate (ester) |
| Metriol trinitrate |
| 2-methyl-1,3-bis-nitryloxy-2-nitryloxymethyl-propane |
| 2-methyl-2-[(nitrooxy)methyl]propane-1,3-diyl dinitrate |
| TMETN |
| 1,1,1-tris(methylol)ethane trinitrate |
| 1,1,1-tris-nitrooxymethyl-ethane |
| 2-Methyl-1,3-bis-nitryloxy-2-nitryloxymethyl-propan |
| EINECS 221-214-2 |