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16339-18-7

16339-18-7 Structure

16339-18-7 Structure
IdentificationBack Directory
[Name]

N-NITROSODIACETONITRILE
[CAS]

16339-18-7
[Synonyms]

N-NITROSODIACETONITRILE
Nitrosiminodiacetonitrile
N-Nitrosodi(cyanomethyl)amine
N-nitroso-bis(cyanomethyl)amine
N,N-bis(cyanomethyl)nitrous amide
Acetonitrile, 2,2'-(nitrosoimino)bis-
[Molecular Formula]

C4H4N4O
[MDL Number]

MFCD01673043
[MOL File]

16339-18-7.mol
[Molecular Weight]

124.1
Chemical PropertiesBack Directory
[Melting point ]

38-38.5 °C
[Boiling point ]

230.86°C (rough estimate)
[density ]

1.4451 (rough estimate)
[refractive index ]

1.8010 (estimate)
[pka]

-15.53±0.70(Predicted)
[InChI]

InChI=1S/C4H4N4O/c5-1-3-8(7-9)4-2-6/h3-4H2
[InChIKey]

KQKDJPIPZMNIDQ-UHFFFAOYSA-N
[SMILES]

N(CC#N)(CC#N)N=O
Safety DataBack Directory
[Toxicity]

TDLo orl-rat: 1584 mg/kg/2Y-C:ETA,REP ZEKBAI 69,103,67 orl-rat LD50:163 mg/kg ZEKBAI 69,103,67
Hazard InformationBack Directory
[Safety Profile]

Poison by ingestion. Questionablecarcinogen with experimental tumorigenic data.Experimental reproductive effects. Many N-nitrosocompounds are carcinogens. When heated todecomposition it emits toxic fumes of NOx and CNí. Seealso N-NITROSO COMPOUNDS
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