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4110-66-1

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Basic Information
CAS No.: 4110-66-1
Name: benzo-tepa
Molecular Structure:
Molecular Structure of 4110-66-1 (benzo-tepa)
Formula: C11H14 N3 O2 P
Molecular Weight: 251.225
Synonyms: Aziridine,1,1'-[(benzoylamino)phosphinylidene]bis-; Benzo-TEPA; Benzotef
Density: 1.4g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: A poison by ingestion, subcutaneous, parenteral, and intravenous routes. When heated to decomposition it emits toxic vapors of NOx and POx.
PSA: 65.49000
LogP: 1.60630
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  • Benzamide,N-[bis(1-aziridinyl)phosphinyl]-

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    Benzamide,N-[bis(1-aziridinyl)phosphinyl]-

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    hight degree of purity Application:Fine chemical intermediates, used as the main raw material for he synthesis of various pesticides, medicines, surfactants, polymer monomers, Ond Ontifungal agents

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Chemistry

Product Name: Benzo-tepa (CAS NO.4110-66-1)


Molecular Formula: C11H14N3O2P
Molecular Weight: 251.25g/mol
Mol File: 4110-66-1.mol
Density: 1.4 g/cm3
Surface Tension: 62.7 dyne/cm
XLogP3-AA: 0.9
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of Benzo-tepa (CAS NO.4110-66-1):
  IUPAC Name: N-[bis(aziridin-1-yl)phosphoryl]benzamide
  Canonical SMILES: C1CN1P(=O)(NC(=O)C2=CC=CC=C2)N3CC3
  InChI: InChI=1S/C11H14N3O2P/c15-11(10-4-2-1-3-5-10)12-17(16,13-6-7-13)14-8-9-14/h1-5H,6-9H2,(H,12,15,16) 
  InChIKey: BRZOTEHEMOQUOY-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 35mg/kg (35mg/kg) LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL"

KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"

BLOOD: CHANGES IN SPLEEN
Farmakologiya i Toksikologiya Vol. 8, Pg. 73, 1973.
mouse LDLo parenteral 100mg/kg (100mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE WEAKNESS
Farmakologiya i Toksikologiya Vol. 7, Pg. 91, 1972.
rabbit LD50 intravenous 17500ug/kg (17.5mg/kg) LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL"

KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"

BLOOD: CHANGES IN SPLEEN
Farmakologiya i Toksikologiya Vol. 8, Pg. 73, 1973.
rabbit LDLo unreported 30mg/kg (30mg/kg)   Pharmaceutical Chemistry Journal Vol. 6, Pg. 475, 1972.
rat LD50 oral 50mg/kg (50mg/kg)   Farmakologiya i Toksikologiya Vol. 5, Pg. 105, 1970.
rat LD50 unreported 50mg/kg (50mg/kg)   Pharmaceutical Chemistry Journal Vol. 16, Pg. 626, 1982.

Safety Profile

A poison by ingestion, subcutaneous, parenteral, and intravenous routes. When heated to decomposition it emits toxic vapors of NOx and POx.

Specification

 Benzo-tepa ,its CAS NO. is 4110-66-1,the synonyms is 5-20-01-00113 (Beilstein Handbook Reference) ; AI3-62256 ; BRN 0229176 ; Benzotef ; Benzotephe ; N-(Bis(1-aziridinyl)phosphinyl)benzamide ; N-Benzoyl-N',N',N'',N''-diethylenetriamide of phosphoric acid ; Benzamide, N-(bis(1-aziridinyl)phosphinyl)- .