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14465-96-4

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Basic Information
CAS No.: 14465-96-4
Name: Dimatiph
Molecular Structure:
Molecular Structure of 14465-96-4 (Dimatiph)
Formula: C4H10 N3 P S
Molecular Weight: 163.20
Synonyms: AI 3-61969;Amido(thio)phosphoric acid diethylenimide; Aziridine,1,1'-(aminophosphinothioylidene)bis-; Diethyleneimideamidothiophosphoric acid;Dimatif; ENT 61969
Density: 1.5g/cm3
Boiling Point: 265.6°Cat760mmHg
Flash Point: 114.4°C
Safety: Poison by ingestion. An experimental teratogen. Other experimental reproductive effects. Human mutation data reported. When heated to decomposition it emits toxic fumes of POx, NOx, and SOx.
PSA: 73.94000
LogP: 1.02750
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Chemistry

Molecule structure of Dimatif (CAS NO.14465-96-4) :

IUPAC Name: 1-[amino(aziridin-1-yl)phosphinothioyl]aziridine 
Molecular Weight: 163.181061 g/mol
Molecular Formula: C4H10N3PS 
Density: 1.5 g/cm3 
Boiling Point: 265.6 °C at 760 mmHg 
Flash Point: 114.4 °C
Index of Refraction: 1.691
Molar Refractivity: 41.6 cm3
Molar Volume: 108.6 cm3
Polarizability: 16.49×10-24 cm3
Surface Tension: 81.1 dyne/cm 
Enthalpy of Vaporization: 50.35 kJ/mol
Vapour Pressure: 0.0091 mmHg at 25 °C
XLogP3-AA: 0.4
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Tautomer Count: 2
Exact Mass: 163.033305
MonoIsotopic Mass: 163.033305
Topological Polar Surface Area: 32
Heavy Atom Count: 9
Complexity: 159
Canonical SMILES: C1CN1P(=S)(N)N2CC2
InChI: InChI=1S/C4H10N3PS/c5-8(9,6-1-2-6)7-3-4-7/h1-4H2,(H2,5,9)
InChIKey of Dimatif (CAS NO.14465-96-4) : RXZRAOONKFIKQQ-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mmo-smc 1 mg/L

     TGANAK    Tsitologiya i Genetika. 18 (1984),455.
2.    

cyt-hmn:lym 400 mg/L

     TGANAK    Tsitologiya i Genetika. 18 (1984),455.
3.    

sce-hmn:lym 2 mg/L

     TGANAK    Tsitologiya i Genetika. 16 (2)(1982),34.
4.    

cyt-mus-unr 1 mg/kg

     TGANAK    Tsitologiya i Genetika. 18 (1984),455.
5.    

orl-rat LD50:66 mg/kg

     GISAAA    Gigiena i Sanitariya. 48 (5)(1983),75.
6.    

orl-qal LD50:100 mg/kg

     JRPFA4    Journal of Reproduction and Fertility. 48 (1976),371.

Safety Profile

Poison by ingestion. An experimental teratogen. Other experimental reproductive effects. Human mutation data reported. When heated to decomposition it emits toxic fumes of POx, NOx, and SOx.

Specification

 Dimatif (CAS NO.14465-96-4) is also named as Dimatiph ; AI3-61969 ; Bis(1-aziridinyl)aminophospine sulfide ; ENT 61969 ; P,P-Bis(1-aziridinyl)phosphinothioic amide ; Phosphine sulfide, bis(1-aziridinyl)amino- ; Phosphinothioic amide, P,P-bis(1-aziridinyl)- .