Propane,2-chloro-2-nitro-

Modify Date: 2024-01-11 19:39:57

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
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...

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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...

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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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