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4732-59-6

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Basic Information
CAS No.: 4732-59-6
Name: N-Hydroxy-2-(hydroxyimino)propanimidoyl chloride
Molecular Structure:
Molecular Structure of 4732-59-6 (N-Hydroxy-2-(hydroxyimino)propanimidoyl chloride)
Formula: C3H5ClN2
Molecular Weight: 136.538
Synonyms: Methyl chloroglyoxime;Glyoxime,1-chloro-2-methyl;N-hydroxy-2-hydroxyimino-propionimidoyl chloride;TL 868;2-hydroxyimino-propionohydroximoyl chloride;Glyoxime,chloromethyl;2-Hydroxyimino-propionohydroximoylchlorid;Pyruvohydroximoyl chloride,oxime;
Density: 1.45g/cm3
Boiling Point: 243.6°Cat760mmHg
Flash Point: 101.1°C
Safety: A poison by ingestion and inhalation. When heated to decomposition it emits toxic vapors of NOx and Cl−.
PSA: 61.69000
LogP: 1.20270
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Chemistry

Molecule structure of Pyruvohydroximoyl chloride, oxime (CAS NO.4732-59-6):

IUPAC Name: N-[(E)-3-Chloro-1-nitrosoprop-1-en-2-yl]hydroxylamine 
Molecular Weight: 136.537 g/mol
Molecular Formula: C3H5ClN2O2 
Density: 1.45 g/cm3
Boiling Point: 243.6 °C at 760 mmHg 
Flash Point: 101.1 °C
Index of Refraction: 1.525
Molar Refractivity: 28.77 cm3
Molar Volume: 93.7 cm3
Polarizability: 11.4×10-24 cm3
Surface Tension: 50.3 dyne/cm  
Enthalpy of Vaporization: 55.85 kJ/mol
Vapour Pressure: 0.00537 mmHg at 25 °C
XLogP3-AA: 0.3
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 2
Tautomer Count: 7
Exact Mass: 136.003955
MonoIsotopic Mass: 136.003955
Topological Polar Surface Area: 61.7
Heavy Atom Count: 8
Complexity: 104
Canonical SMILES: C(C(=CN=O)NO)Cl
Isomeric SMILES: C(/C(=C\N=O)/NO)Cl
InChI: InChI=1S/C3H5ClN2O2/c4-1-3(6-8)2-5-7/h2,6,8H,1H2/b3-2+
InChIKey of Pyruvohydroximoyl chloride, oxime (CAS NO.4732-59-6): UQKQYXYURNGYOF-NSCUHMNNSA-N

Toxicity Data With Reference

1.    

orl-rat LDLo:100 mg/kg

     NCNSA6    National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. 5 (1953),20.
2.    

ihl-mus LCLo:320 mg/m3/10M

     NDRC**    National Defense Research Committee, Office of Scientific Research and Development, Progress Report No. 9-4-1-19 ,1943.

Safety Profile

A poison by ingestion and inhalation. When heated to decomposition it emits toxic vapors of NOx and Cl−.

Specification

 Pyruvohydroximoyl chloride, oxime (CAS NO.4732-59-6) is also named as Chloro(methyl)glyoxime ; Glyoxime, 1-chloro-2-methyl- ; Glyoxime, chloromethyl- ; TL 868 ; Propanimidoyl chloride, N-hydroxy-2-(hydroxyimino)- (9CI) .