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33868-17-6

Basic Information
CAS No.: 33868-17-6
Name: METHYLNITROSOCYANAMIDE
Molecular Structure:
Molecular Structure of 33868-17-6 (METHYLNITROSOCYANAMIDE)
Formula: C2H3 N3 O
Molecular Weight: 85.0653
Synonyms: Cyanamide,methylnitroso- (8CI,9CI); Methylnitrosocyanamide; N-Nitroso(methyl)cyanamide
Density: 1.16g/cm3
Boiling Point: 81°Cat760mmHg
Flash Point: 2.8°C
Safety: Poison by ingestion. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS.
PSA: 56.46000
LogP: 0.08068
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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

Molecule structure of Methylnitrosocyanamide (CAS NO.33868-17-6):

IUPAC Name: Methyl(nitroso)cyanamide 
Molecular Weight: 85.06472 g/mol
Molecular Formula: C2H3N3
Density: 1.16 g/cm3 
Boiling Point: 81 °C at 760 mmHg 
Flash Point: 2.8 °C
Index of Refraction: 1.498
Molar Refractivity: 21.34 cm3
Molar Volume: 72.7 cm3
Polarizability: 8.46×10-24 cm3
Surface Tension: 47.1 dyne/cm
Enthalpy of Vaporization: 32.17 kJ/mol
Vapour Pressure: 83.3 mmHg at 25 °C
XLogP3-AA: 0.2
H-Bond Acceptor: 4
Exact Mass: 85.027612
MonoIsotopic Mass: 85.027612
Topological Polar Surface Area: 56.5
Heavy Atom Count: 6
Complexity: 90.2
Canonical SMILES: CN(C#N)N=O
InChI: InChI=1S/C2H3N3O/c1-5(2-3)4-6/h1H3
InChIKey of Methylnitrosocyanamide (CAS NO.33868-17-6): DHOYZNRIPLSCPT-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mmo-sat 2500 µmol/L

    GMCRDC    Gann Monograph on Cancer Research. 17 (1975),17.
2.    

mmo-esc 5 µmol/L

    CNREA8    Cancer Research. 38 (1978),4630.
3.    

cyt-ham:emb 2 mmol/L/24H

    MUREAV    Mutation Research. 43 (1977),429.
4.    

orl-mus LD50:69 mg/kg

    PJACAW    Proceedings of the Japan Academy. 50 (1974),497.

Safety Profile

Poison by ingestion. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS.

Specification

 Methylnitrosocyanamide (CAS NO.33868-17-6) is also named as BRN 2347248 ; CCRIS 1564 ; MNC ; Cyanamide, methylnitroso- .