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1477-20-9

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Basic Information
CAS No.: 1477-20-9
Name: N,N'-[1,4-Phenylenebis(methylene)]bis(2,2-dichloro-N-ethylacetamide)
Molecular Structure:
Molecular Structure of 1477-20-9 (N,N'-[1,4-Phenylenebis(methylene)]bis(2,2-dichloro-N-ethylacetamide))
Formula: C16H20 Cl4 N2 O2
Molecular Weight: 414.159
Synonyms: Acetamide,N,N'-(p-phenylenedimethylene)bis[2,2-dichloro-N-ethyl- (6CI,7CI,8CI);N,N'-Bis(dichloroacetyl)-N,N'-diethyl-1,4-xylylenediamine; NSC 14070; Win13,099; Win 13099
Density: 1.339g/cm3
Boiling Point: 512.2°Cat760mmHg
Flash Point: 263.6°C
Safety: Human reproductive effects by ingestion: changes in testes, epididymis, sperm duct and spermatogenesis. Experimental reproductive effects. Human mutation data reported. When heated to decomposition it emits toxic fumes of Cl− and NOx.
PSA: 40.62000
LogP: 3.99100
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Chemistry

Product Name: Win 13099 (CAS NO.1477-20-9)


Molecular Formula: C16H20Cl4N2O2
Molecular Weight: 414.1542g/mol
Mol File: 1477-20-9.mol
Boiling point: 512.2 °C at 760 mmHg
Flash Point: 263.6 °C
Density: 1.339 g/cm3
Surface Tension: 46.9 dyne/cm
Enthalpy of Vaporization: 78.33 kJ/mol
Vapour Pressure: 1.32E-10 mmHg at 25°C
XLogP3-AA: 3.9
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of Win 13099 (CAS NO.1477-20-9):
  IUPAC Name: 2,2-dichloro-N-[[4-[[(2,2-dichloroacetyl)-ethylamino]methyl]phenyl]methyl]-N-ethylacetamide
  Canonical SMILES: CCN(CC1=CC=C(C=C1)CN(CC)C(=O)C(Cl)Cl)C(=O)C(Cl)Cl
  InChI: InChI=1S/C16H20Cl4N2O2/c1-3-21(15(23)13(17)18)9-11-5-7-12(8-6-11)10-22(4-2)16(24)14(19)20/h5-8,13-14H,3-4,9-10H2,1-2H3 
  InChIKey: AEHLRHNHBHGHBT-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 12gm/kg (12000mg/kg)   Antibiotics and Chemotherapy Vol. 11, Pg. 245, 1961.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

Human reproductive effects by ingestion: changes in testes, epididymis, sperm duct and spermatogenesis. Experimental reproductive effects. Human mutation data reported. When heated to decomposition it emits toxic fumes of Cl− and NOx.

Specification

 Win 13099 ,its CAS NO. is 1477-20-9,the synonyms is BRN 2776536 ; N,N'-(p-Phenylenedimethylene)bis(2,2-dichloro-N-ethylacetamide) ; N,N'-Bis(dichloroacetyl)-N,N'-diethyl-1,4-xylylenediamine ; NSC 14070 ; Acetamide, N,N'-(1,4-phenylenebis(methylene))bis(2,2-dichloro-N-ethyl- (9CI) ; Acetamide, N,N'-(p-phenylenedimethylene)bis(2,2-dichloro-N-ethyl- .