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5461-85-8

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Basic Information
CAS No.: 5461-85-8
Name: NISOBUTYLNNITRONNITROSOGUANIDINE
Article Data: 2
Molecular Structure:
Molecular Structure of 5461-85-8 (NISOBUTYLNNITRONNITROSOGUANIDINE)
Formula: C5H11N5O3
Molecular Weight: 189.174
Synonyms: 1-(2-Methylpropyl)-3-nitro-1-nitrosoguanidine;N-Isobutyl-N'-nitro-N-nitrosoguanidine;1-(t-Butyl)-3-nitro-1-nitrosoguanidin;Isobutylnitrosonitroguanidine;1-Nitroso-3-nitro-1-isobutyl-guanidin;1-Isobutyl-3-nitro-1-nitrosoguanidine;GUANIDINE,1-ISOBUTYL-3-NITRO-1-NITROSO;Guanidine,N-(2-methylpropyl)-N''-nitro-N-nitroso;
Density: 1.44g/cm3
Boiling Point: 300.5°C at 760 mmHg
Flash Point: 135.5°C
Safety: Mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits very toxic fumes of NOx. See also N-NITROSO COMPOUNDS.
PSA: 116.87000
LogP: 1.35570
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Chemistry

IUPAC Name: 1-(2-Methylpropyl)-2-nitro-1-nitrosoguanidine
Synonyms of N-Isobutyl-n'-nitro-n-nitrosoguanidine (CAS NO.5461-85-8) : .1-(2-Methylpropyl)-3-nitro-1-nitrosoguanidine ; 1-Isobutyl-3-nitro-1-nitrosoguanidine ; Guanidine, N-(2-methylpropyl)-N''-nitro-N-nitroso- ; Isobutylnitrosonitroguanidine ; Guanidine, 1-isobutyl-3-nitro-1-nitroso ; Guanidine, N-(2-methylpropyl)-N'-nitro-N-nitroso- (9CI) ; N-Isobutyl-N'-nitro-N-nitrosoguanidine
InChI:InChI=1/C5H11N5O3/c1-4(2)3-9(8-11)5(6)7-10(12)13/h4H,3H2,1-2H3,(H2,6,7)   
CAS NO:5461-85-8 
Molecular Formula:C5H11N5O3              
Molecular Weight :189.1725              
Molecular Structure :
Index of Refraction: 1.581  
Surface Tension: 59.8 dyne/cm 
Density: 1.44 g/cm3 
Flash Point: 135.5 °C 
Enthalpy of Vaporization: 54.05 kJ/mol 
Boiling Point: 300.5 °C at 760 mmHg 
Vapour Pressure: 0.00112 mmHg at 25°C 

Uses

 N-Isobutyl-n'-nitro-n-nitrosoguanidine (CAS NO.5461-85-8) is used as  intermediate in organic synthesis.

Toxicity Data With Reference

1.    

mmo-sat 100 nmol/plate

     IDZAAW    Idengaku Zasshi. Japanese Journal of Genetics. 50 (1975),403.
2.    

dnr-smc 2 µmol/well

     IDZAAW    Idengaku Zasshi. Japanese Journal of Genetics. 50 (1975),403.
3.    

cyt-ham:fbr 30 mg/L/24H

     MUREAV    Mutation Research. 48 (1977),337.
4.    

cyt-ham:lng 13 mg/L

     GMCRDC    Gann Monograph on Cancer Research. 27 (1981),95.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

Mutation data reported. Many N-nitroso compounds are carcinogens. When N-Isobutyl-n'-nitro-n-nitrosoguanidine (CAS NO.5461-85-8) is heated to decomposition, it emits very toxic fumes of NOx. See also N-NITROSO COMPOUNDS.