Introduction：Basic information about CAS 76-39-1|2-Methyl-2-nitropropan-1-ol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-Methyl-2-nitropropan-1-ol |
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| CAS Number | 76-39-1 | Molecular Weight | 119.11900 |
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| Density | 1.135g/cm3 | Boiling Point | 94-95ºC10 mm Hg(lit.) |
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| Molecular Formula | C4H9NO3 | Melting Point | 86-89ºC(lit.) |
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| MSDS | / | Flash Point | 92.1ºC |
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Names
| Name | 2-Nitroisobutanol |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.135g/cm3 |
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| Boiling Point | 94-95ºC10 mm Hg(lit.) |
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| Melting Point | 86-89ºC(lit.) |
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| Molecular Formula | C4H9NO3 |
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| Molecular Weight | 119.11900 |
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| Flash Point | 92.1ºC |
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| Exact Mass | 119.05800 |
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| PSA | 66.05000 |
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| LogP | 0.55720 |
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| Index of Refraction | 1.448 |
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| InChIKey | MVGJRISPEUZYAQ-UHFFFAOYSA-N |
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| SMILES | CC(C)(CO)[N+](=O)[O-] |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UB8575000
- CHEMICAL NAME :
- 1-Propanol, 2-methyl-2-nitro-
- CAS REGISTRY NUMBER :
- 76-39-1
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C4-H9-N-O3
- MOLECULAR WEIGHT :
- 119.14
- WISWESSER LINE NOTATION :
- WNX1&1&1Q
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - coma Lungs, Thorax, or Respiration - respiratory stimulation
- REFERENCE :
- JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 22,315,1940
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Safety Information
| WGK Germany | 3 |
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| RTECS | UB8575000 |
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Synonyms
| 2-Methyl-2-nitropropan-1-ol |
| EINECS 200-957-6 |
