Introduction：Basic information about CAS 594-71-8|Propane,2-chloro-2-nitro-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Propane,2-chloro-2-nitro- |
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| CAS Number | 594-71-8 | Molecular Weight | 123.53800 |
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| Density | 1.208g/cm3 | Boiling Point | 138.3ºC at 760mmHg |
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| Molecular Formula | C3H6ClNO2 | Melting Point | / |
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| MSDS | / | Flash Point | 37.4ºC |
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Names
| Name | 2-chloro-2-nitropropane |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.208g/cm3 |
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| Boiling Point | 138.3ºC at 760mmHg |
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| Molecular Formula | C3H6ClNO2 |
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| Molecular Weight | 123.53800 |
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| Flash Point | 37.4ºC |
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| Exact Mass | 123.00900 |
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| PSA | 45.82000 |
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| LogP | 1.76120 |
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| Index of Refraction | 1.436 |
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| InChIKey | JQYFSFNSNVRUPY-UHFFFAOYSA-N |
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| SMILES | CC(C)(Cl)[N+](=O)[O-] |
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| Stability | Stable, but unstable if heated rapidly. Combustible. Incompatible with strong oxidizing agents, powdered aluminium, potassium. |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- TX5425000
- CHEMICAL NAME :
- Propane, 2-chloro-2-nitro-
- CAS REGISTRY NUMBER :
- 594-71-8
- LAST UPDATED :
- 199510
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C3-H6-Cl-N-O2
- MOLECULAR WEIGHT :
- 123.55
- WISWESSER LINE NOTATION :
- WNXG1&1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 580 mg/kg
- TOXIC EFFECTS :
- Behavioral - general anesthetic Behavioral - somnolence (general depressed activity)
- REFERENCE :
- HYSAAV Hygiene and Sanitation (USSR). English translation of GISAAA. (Springfield, VA) 1964-71. Discontinued. Volume(issue)/page/year: 34(10-12),429,1969
- TYPE OF TEST :
- LC50 - Lethal concentration, 50 percent kill
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 55 gm/m3/3H
- TOXIC EFFECTS :
- Behavioral - general anesthetic Behavioral - somnolence (general depressed activity)
- REFERENCE :
- HYSAAV Hygiene and Sanitation (USSR). English translation of GISAAA. (Springfield, VA) 1964-71. Discontinued. Volume(issue)/page/year: 34(10-12),429,1969
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >5000 mL/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- HYSAAV Hygiene and Sanitation (USSR). English translation of GISAAA. (Springfield, VA) 1964-71. Discontinued. Volume(issue)/page/year: 34,429,1969
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 195 mg/kg
- TOXIC EFFECTS :
- Behavioral - general anesthetic Behavioral - somnolence (general depressed activity)
- REFERENCE :
- HYSAAV Hygiene and Sanitation (USSR). English translation of GISAAA. (Springfield, VA) 1964-71. Discontinued. Volume(issue)/page/year: 34(10-12),429,1969
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 27,95,1945
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Synonyms
| 2-chloro-2-nitro-propane |
| Propane,2-chloro-2-nitro |
| 2-Nitro-2-chlor-propan |
| 1-Chlor-1-nitropropan |
| EINECS 209-853-5 |
| 2-Chlor-2-nitro-propan |
