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1-Nitroso-3-nitro-1-butylguanidine

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Name

1-Nitroso-3-nitro-1-butylguanidine

EINECS N/A
CAS No. 13010-08-7 Density 1.43g/cm3
PSA 116.87000 LogP 1.49980
Solubility N/A Melting Point 119-120 °C (dec.)(lit.)

Formula C5H11 N5 O3 Boiling Point 308.4°Cat760mmHg
Molecular Weight 189.174 Flash Point 140.3°C
Transport Information N/A Appearance N/A
Safety Questionable carcinogen with experimental tumorigenic data. Mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS. Risk Codes 45-46-11-36/37/38
Molecular Structure Molecular Structure of 13010-08-7 (1-BUTYL-3-NITRO-1-NITROSOGUANIDINE) Hazard Symbols
Synonyms

Guanidine,1-butyl-3-nitro-1-nitroso- (6CI,8CI); 1-Butyl-1-nitroso-3-nitroguanidine;1-Butyl-3-nitro-1-nitrosoguanidine; N-(n-Butyl)-N'-nitro-N-nitrosoguanidine;N-Butyl-N-nitroso-N'-nitroguanidine; N-Butyl-N'-nitro-N-nitrosoguanidine;N-Nitroso-N-butyl-N'-nitroguanidine; N-Nitroso-N'-nitro-N-butylguanidine; NSC24639

Article Data 3

1-Nitroso-3-nitro-1-butylguanidine Chemical Properties

Molecular Structure of 1-Nitroso-3-nitro-1-butylguanidine (CAS NO.13010-08-7):


IUPAC: 1-Butyl-2-nitro-1-nitroso-guanidine
Molecular Formula:C5H11N5O3
Molecular Weight:189.17
EINECS:235-857-1
Product Categories:Guanidines;Nitrogen Compounds;Organic Building Blocks
Density:1.43 g/cm3
Melting point:119-120oC (dec.)(lit.)
Flash Point:140.3oC
Boiling Point:308.4oC at 760 mmHg
SMILES:O=[N+]([O-])N=C(N(N=O)CCCC)N 
InChI:InChI=1/C5H11N5O3/c1-2-3-4-9(8-11)5(6)7-10(12)13/h2-4H2,1H3,(H2,6,7) 
InChIKey:FJNCPBNCTRDXFB-UHFFFAOYAZ 
Index of Refraction:1.58
Molar Volume:131.8 cm3   
Surface Tension:63.2 dyne/cm 
Molar Refractivity:43.89 cm3 
Enthalpy of Vaporization:54.91 kJ/mol
Vapour Pressure:0.000682 mmHg at 25oC

1-Nitroso-3-nitro-1-butylguanidine Toxicity Data With Reference

1.    

mmo-sat 100 nmol/plate

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

mmo-omi 500 ppm

    SOGEBZ    Soviet Genetics. Translation of GNKAA5. 11 (1975),183.

1-Nitroso-3-nitro-1-butylguanidine Consensus Reports

EPA Genetic Toxicology Program.

1-Nitroso-3-nitro-1-butylguanidine Safety Profile

Questionable carcinogen with experimental tumorigenic data. Mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS.

Safty informations about 1-Nitroso-3-nitro-1-butylguanidine (CAS NO.13010-08-7):
Hazard Codes:FFlammable,T Toxic
Risk Statements:45-46-11-36/37/38
R45:May cause cancer.
R46:May cause heritable genetic damage.
R11:Highly flammable.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements:53-16-26-27-36/37/39-45
S53:Avoid exposure - obtain special instructions before use.
S16:Keep away from sources of ignition.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S27:Take off immediately all contaminated clothing.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR:UN 1325 4.1/PG 2
WGK Germany:3
RTECS:ME8970000
HazardClass:4.1
PackingGroup:III

1-Nitroso-3-nitro-1-butylguanidine Specification

 1-Nitroso-3-nitro-1-butylguanidine with cas registry number of 13010-08-7 is also known as 1-Butyl-3-nitro-1-nitroso-guanidin ; 1-Nitroso-3-nitro-1-butylguanidine ; N-butyl-n’-nitro-n-nitrosoguanidine ; N-nitroso-n’-nitro-n-butylguanidine ; Nsc24639 ; 1-Butyl-3-nitro-1-nitrosoguanidine ; 3-Butyl-1-nitro-3-nitrosoguanidine ; Guanidine,1-butyl-3-nitro-1-nitroso- . It is used as an organic synthesis intermediate in synthesis of many useful compounds.

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