Propane,2-chloro-2-nitro-

Modify Date: 2025-09-21 07:09:17

Propane,2-chloro-2-nitro- Structure
Propane,2-chloro-2-nitro- structure
 Common Name Propane,2-chloro-2-nitro-
CAS Number 594-71-8 Molecular Weight 123.53800
Density 1.208g/cm3 Boiling Point 138.3ºC at 760mmHg
Molecular Formula C3H6ClNO2 Melting Point N/A
MSDS N/A Flash Point 37.4ºC

 Names

Name 2-chloro-2-nitropropane
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.208g/cm3
Boiling Point 138.3ºC at 760mmHg
Molecular Formula C3H6ClNO2
Molecular Weight 123.53800
Flash Point 37.4ºC
Exact Mass 123.00900
PSA 45.82000
LogP 1.76120
Index of Refraction 1.436
InChIKey JQYFSFNSNVRUPY-UHFFFAOYSA-N
SMILES CC(C)(Cl)[N+](=O)[O-]
Stability Stable, but unstable if heated rapidly. Combustible. Incompatible with strong oxidizing agents, powdered aluminium, potassium.

 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 DATA

ACUTE 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

 Synthetic Route

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Propan-2-one oxime

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~30%

Propane,2-chloro-2-nitro- Structure

Propane,2-chlor...

CAS#:594-71-8

Literature: Moiseev, I. K.; Mratkhuzina, T. A.; Makarova, N. V. Russian Journal of General Chemistry, 1999 , vol. 69, # 11 p. 1777 - 1778 Zhurnal Obshchei Khimii, 1999 , vol. 69, # 11 p. 1855 - 1857
Carbon tetrachloride structure

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2-Nitropropane structure

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~74%

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1-Chloro-1-nitrocyclopentane structure

1-Chloro-1-nitr...

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Literature: Makosza, M.; Kwast, A.; Kwast, E.; Jonczyk, A. Journal of Organic Chemistry, 1985 , vol. 50, # 20 p. 3722 - 3727
2-nitropropane sodium salt structure

2-nitropropane ...

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~%

Propane,2-chloro-2-nitro- Structure

Propane,2-chlor...

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Literature: Kornblum,N. et al. Journal of the American Chemical Society, 1973 , vol. 95, p. 3356 - 3361
2-Nitropropane structure

2-Nitropropane

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~43%

Propane,2-chloro-2-nitro- Structure

Propane,2-chlor...

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2,3-DIMETHYL-2,3-DINITROBUTANE structure

2,3-DIMETHYL-2,...

CAS#:3964-18-9

Literature: Ilovaisky; Merkulova; Ogibin; Nikishin Russian Chemical Bulletin, 2005 , vol. 54, # 7 p. 1585 - 1592
2-Nitropropane structure

2-Nitropropane

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~%

Propane,2-chloro-2-nitro- Structure

Propane,2-chlor...

CAS#:594-71-8

Literature: Comm.Solv.Corp. Patent: US2365981 , 1941 ; Full Text Show Details Seigle; Hass Journal of Organic Chemistry, 1940 , vol. 5, p. 103
2-Chloropropane structure

2-Chloropropane

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~%

Propane,2-chloro-2-nitro- Structure

Propane,2-chlor...

CAS#:594-71-8

Literature: Aliew; Degtjarenko Neft GazChem.Abstr., 1958 , vol. 1, # 5 p. 109,112 Neft GazChem.Abstr., 1959 , p. 10006
2-Nitropropane structure

2-Nitropropane

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4-(2-chloro-2-methylpropanoyl)benzonitrile structure

4-(2-chloro-2-m...

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~%

Propane,2-chloro-2-nitro- Structure

Propane,2-chlor...

CAS#:594-71-8

2,3-DIMETHYL-2,3-DINITROBUTANE structure

2,3-DIMETHYL-2,...

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Detail
Literature: Russell, Glen A.; Ros, Fransisco Journal of the American Chemical Society, 1985 , vol. 107, # 8 p. 2506 - 2511
2-Chloropropane structure

2-Chloropropane

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Sulfuric acid structure

Sulfuric acid

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~%

Propane,2-chloro-2-nitro- Structure

Propane,2-chlor...

CAS#:594-71-8

Literature: Aliew; Degtjarenko Neft GazChem.Abstr., 1958 , vol. 1, # 5 p. 109,111 Neft GazChem.Abstr., 1959 , p. 10006

 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
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