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4119-81-7

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Basic Information
CAS No.: 4119-81-7
Name: N-[bis(aziridin-1-yl)phosphoryl]-2-iodobenzamide
Molecular Structure:
Molecular Structure of 4119-81-7 (N-[bis(aziridin-1-yl)phosphoryl]-2-iodobenzamide)
Formula: C11H13IN3O2P
Molecular Weight: 377.121
Density: 1.9g/cm3
Safety: A poison by parenteral route. When heated to decomposition it emits toxic vapors of POx and I−.
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    N-(BIS(1-AZIRIDINYL)PHOSPHINYL)-o-IODO BENZAMIDE

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  • N-(BIS(1-AZIRIDINYL)PHOSPHINYL)-o-IODO BENZAMIDE

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    N-(BIS(1-AZIRIDINYL)PHOSPHINYL)-o-IODO BENZAMIDE

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Chemistry

Product Name: Iodobenzotef (CAS NO.4119-81-7)


Molecular Formula: C11H13IN3O2P
Molecular Weight: 377.14g/mol
Mol File: 4119-81-7.mol
Density: 1.9 g/cm3
Surface Tension: 71.8 dyne/cm
XLogP3-AA: 1.1
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of Iodobenzotef (CAS NO.4119-81-7):
  IUPAC Name: N-[bis(aziridin-1-yl)phosphoryl]-2-iodobenzamide
  Canonical SMILES: C1CN1P(=O)(NC(=O)C2=CC=CC=C2I)N3CC3
  InChI: InChI=1S/C11H13IN3O2P/c12-10-4-2-1-3-9(10)11(16)13-18(17,14-5-6-14)15-7-8-15/h1-4H,5-8H2,(H,13,16,17) 
  InChIKey: WLEFRRNVWGUEIP-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 parenteral 80mg/kg (80mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE WEAKNESS		 Farmakologiya i Toksikologiya Vol. 7, Pg. 91, 1972.
rabbit LD50 parenteral 26mg/kg (26mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE WEAKNESS		 Farmakologiya i Toksikologiya Vol. 7, Pg. 91, 1972.
rabbit LDLo unreported 40mg/kg (40mg/kg)   Pharmaceutical Chemistry Journal Vol. 6, Pg. 475, 1972.
rat LD50 unreported 74mg/kg (74mg/kg)   Pharmaceutical Chemistry Journal Vol. 16, Pg. 626, 1982.

Safety Profile

A poison by parenteral route. When heated to decomposition it emits toxic vapors of POx and I−.

Specification

 Iodobenzotef ,its CAS NO. is 4119-81-7,the synonyms is 5-20-01-00115 (Beilstein Handbook Reference) ; BRN 1350293 ; N-(Bis(1-aziridinyl)phosphinyl)-o-iodobenzamide ; o-Iodobenzotef ; Benzamide, N-(bis(1-aziridinyl)phosphinyl)-o-iodo- .