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35089-70-4

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Basic Information
CAS No.: 35089-70-4
Name: 1-Hexyl-3-nitro-1-nitrosoguanidine
Molecular Structure:
Molecular Structure of 35089-70-4 (1-Hexyl-3-nitro-1-nitrosoguanidine)
Formula: C7H15 N5 O3
Molecular Weight: 217.228
Synonyms: 1-Hexyl-3-nitro-1-nitrosoguanidine;N-Hexyl-N-nitroso-N'-nitroguanidine; N-Hexyl-N'-nitro-N-nitrosoguanidine
Density: 1.32g/cm3
Boiling Point: 335.4°Cat760mmHg
Flash Point: 156.6°C
Safety: Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
PSA: 114.37000
LogP: 2.28000
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    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

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Chemistry

Molecular Structure of 1-Hexyl-3-nitro-1-nitrosoguanidine (CAS NO.35089-70-4):


IUPAC: 1-Hexyl-2-nitro-1-nitroso-guanidine
Molecular Formula:C7H15N5O3
Molecular Weight:217.2257
Density:1.32 g/cm3 
Flash Point:156.6oC 
Boiling Point:335.4oC at 760 mmHg 
SMILES:O=[N+]([O-])N=C(N(N=O)CCCCCC)N 
InChI:InChI=1/C7H15N5O3/c1-2-3-4-5-6-11(10-13)7(8)9-12(14)15/h2-6H2,1H3,(H2,8,9) 
InChIKey:OKEOKSSXTJTRSL-UHFFFAOYAP 
Index of Refraction:1.56
Molar Volume:164.1 cm3
Surface Tension:56 dyne/cm
Molar Refractivity:53.1 cm3
Enthalpy of Vaporization:57.85 kJ/mol
Vapour Pressure:0.00012 mmHg at 25oC

Toxicity Data With Reference

1.    

mic-sat 100 nmol/plate

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

mic-esc 10 mg/L

     ESKHA5    Eisei Shikenjo Hokoku. Bulletin of the National Hygiene Sciences.(88),(1970),118.
3.    

dnr-smc 2 µmol/well

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

Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.

Specification

 1-Hexyl-3-nitro-1-nitrosoguanidine with cas registry number of 35089-70-4 is also known as Guanidine,1-hexyl-3-nitro-1-nitroso- ; N-Hexyl-N'-nitro-N-nitrosoguanidine ; Guanidine,N-hexyl-N'-nitro-N-nitroso- . It is stable under normal temperatures and pressures but it also should be stored in a tightly closed container when not in use and stored in a cool, dry place. 1-Hexyl-3-nitro-1-nitrosoguanidine with cas registry number of 35089-70-4 is used as a pharmaceutical intermediate . It is also used as a reagent in biochemistry research .