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63124-33-4

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Basic Information
CAS No.: 63124-33-4
Name: O,O-dimethyl S-{2-[methyl(nitroso)amino]-2-oxoethyl} dithiophosphate
Article Data: 2
Molecular Structure:
Molecular Structure of 63124-33-4 (O,O-dimethyl S-{2-[methyl(nitroso)amino]-2-oxoethyl} dithiophosphate)
Formula: C5H11N2O4PS2
Molecular Weight: 258.27
Synonyms: O,O-Dimethyl-S-(N-methylcarbamoylmethyl)-dithiophosphorsaeureester-N-nitroso-dimethoat;Nitrosodimethoate;Phosphorodithioic acid,O,O-dimethyl ester,S-ester with 2-mercapto-N-methyl-N-nitrosoacetamide;
Density: 1.45g/cm3
Boiling Point: 302.1°Cat760mmHg
Flash Point: 136.5°C
Safety: Mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits very toxic fumes of SOx, POx, and NOx. See also N-NITROSO COMPOUNDS and MERCAPTANS.
PSA: 135.40000
LogP: 2.02730
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Chemistry

Product Name: Nitrosodimethoate (CAS NO.63124-33-4)


Molecular Formula: C5H11N2O4PS2
Molecular Weight: 258.27g/mol
Mol File: 63124-33-4.mol
Boiling point: 302.1 °C at 760 mmHg
Flash Point: 136.5 °C
Density: 1.45 g/cm3
Surface Tension: 53.3 dyne/cm
Enthalpy of Vaporization: 54.23 kJ/mol
Vapour Pressure: 0.00101 mmHg at 25°C
XLogP3-AA: 1.4
H-Bond Donor: 0
H-Bond Acceptor: 5
Structure Descriptors of Nitrosodimethoate (CAS NO.63124-33-4):
  IUPAC Name: 2-dimethoxyphosphinothioylsulfanyl-N-methyl-N-nitrosoacetamide 
  Canonical SMILES: CN(C(=O)CSP(=S)(OC)OC)N=O
  InChI: InChI=1S/C5H11N2O4PS2/c1-7(6-9)5(8)4-14-12(13,10-2)11-3/h4H2,1-3H3 
  InChIKey: PFQITMJPZJIHQY-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mmo-sat 1 µL/plate

     MUREAV    Mutation Research. 48 (1977),225.

Safety Profile

Mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits very toxic fumes of SOx, POx, and NOx. See also N-NITROSO COMPOUNDS and MERCAPTANS.

Specification

 Nitrosodimethoate , its CAS NO. is 63124-33-4, the synonyms are BRN 2275503 ; Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 2-mercapto-N-methyl-N-nitrosoacetamide .