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594-71-8

594-71-8 structure
594-71-8 structure
  • Name: Propane,2-chloro-2-nitro-
  • Chemical Name: 2-chloro-2-nitropropane
  • CAS Number: 594-71-8
  • Molecular Formula: C3H6ClNO2
  • Molecular Weight: 123.53800
  • Create Date: 2018-04-10 08:00:00
  • Modify Date: 2025-09-21 07:09:17
Name 2-chloro-2-nitropropane
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
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.

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
127-06-0 structure

127-06-0

~30%

594-71-8 structure

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
56-23-5 structure

56-23-5

79-46-9 structure

79-46-9

~74%

594-71-8 structure

594-71-8

931-93-1 structure

931-93-1

Literature: Makosza, M.; Kwast, A.; Kwast, E.; Jonczyk, A. Journal of Organic Chemistry, 1985 , vol. 50, # 20 p. 3722 - 3727
24163-39-1 structure

24163-39-1

~%

594-71-8 structure

594-71-8

Literature: Kornblum,N. et al. Journal of the American Chemical Society, 1973 , vol. 95, p. 3356 - 3361
79-46-9 structure

79-46-9

~43%

594-71-8 structure

594-71-8

3964-18-9 structure

3964-18-9

Literature: Ilovaisky; Merkulova; Ogibin; Nikishin Russian Chemical Bulletin, 2005 , vol. 54, # 7 p. 1585 - 1592
79-46-9 structure

79-46-9

~%

594-71-8 structure

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
75-29-6 structure

75-29-6

~%

594-71-8 structure

594-71-8

Literature: Aliew; Degtjarenko Neft GazChem.Abstr., 1958 , vol. 1, # 5 p. 109,112 Neft GazChem.Abstr., 1959 , p. 10006
79-46-9 structure

79-46-9

83846-30-4 structure

83846-30-4

~%

594-71-8 structure

594-71-8

3964-18-9 structure

3964-18-9

Detail
Literature: Russell, Glen A.; Ros, Fransisco Journal of the American Chemical Society, 1985 , vol. 107, # 8 p. 2506 - 2511
75-29-6 structure

75-29-6

7664-93-9 structure

7664-93-9

~%

594-71-8 structure

594-71-8

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