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Diethyl di(dimethylamido)pyrophosphate (unsymmetrical)

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Name

Diethyl di(dimethylamido)pyrophosphate (unsymmetrical)

EINECS N/A
CAS No. 1474-80-2 Density 1.188g/cm3
PSA 87.93000 LogP 2.41540
Solubility N/A Melting Point N/A
Formula C8H22 N2 O5 P2 Boiling Point 308°C at 760 mmHg
Molecular Weight 288.221 Flash Point 140.1°C
Transport Information N/A Appearance N/A
Safety Poison by ingestion, skin contact, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of POx and NOx. See also ESTERS. Risk Codes N/A
Molecular Structure Molecular Structure of 1474-80-2 ((Phosphoric diethyl)N,N,N',N'-tetramethyldiamidophosphoric anhydride) Hazard Symbols N/A
Synonyms

P,P-Diamidopyrophosphoricacid, N,N,N',N'-tetramethyl-, diethyl ester (8CI); P,P-Diamidopyrophosphoricacid, tetramethyl-, diethyl ester (6CI,7CI)

 

Diethyl di(dimethylamido)pyrophosphate (unsymmetrical) Chemical Properties

IUPAC Name: bis(dimethylamino)phosphoryl diethyl phosphate 
Empirical Formula: C8H22N2O5P2
Molecular Weight: 288.2182g/mol
Structure of Diethyl di(dimethylamido)pyrophosphate (unsymmetrical) (CAS NO.1474-80-2):

Index of Refraction: 1.452
Molar Refractivity: 65.53 cm3
Molar Volume: 242.4 cm3
Polarizability: 25.98×10-24cm3
Surface Tension: 38.7 dyne/cm
Density: 1.188 g/cm3
Flash Point: 140.1 °C
Enthalpy of Vaporization: 54.87 kJ/mol
Boiling Point: 308 °C at 760 mmHg
Vapour Pressure: 0.000698 mmHg at 25°C 
Classification Code: Drug / Therapeutic Agent 
Canonical SMILES: CCOP(=O)(OCC)OP(=O)(N(C)C)N(C)C
InChI: InChI=1S/C8H22N2O5P2/c1-7-13-17(12,14-8-2)15-16(11,9(3)4)10(5)6/h7-8H2,1-6H3
InChIKey: AOZOQYULWUHLSQ-UHFFFAOYSA-N

Diethyl di(dimethylamido)pyrophosphate (unsymmetrical) Toxicity Data With Reference

1.    

orl-rat LD50:3800 µg/kg

    JPETAB    Journal of Pharmacology and Experimental Therapeutics. 107 (1953),464.
2.    

skn-rat LD50:5 mg/kg

    JPETAB    Journal of Pharmacology and Experimental Therapeutics. 107 (1953),464.
3.    

ipr-rat LD50:2400 µg/kg

    JPETAB    Journal of Pharmacology and Experimental Therapeutics. 107 (1953),464.
4.    

ipr-mus LD50:4700 µg/kg

    JPETAB    Journal of Pharmacology and Experimental Therapeutics. 107 (1953),464.
5.    

ivn-dog LD50:10 mg/kg

    JPETAB    Journal of Pharmacology and Experimental Therapeutics. 107 (1953),464.
6.    

ipr-gpg LD50:5 mg/kg

    JPETAB    Journal of Pharmacology and Experimental Therapeutics. 107 (1953),464.

Diethyl di(dimethylamido)pyrophosphate (unsymmetrical) Safety Profile

Poison by ingestion, skin contact, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of POx and NOx. See also ESTERS.

Diethyl di(dimethylamido)pyrophosphate (unsymmetrical) Specification

  Diethyl di(dimethylamido)pyrophosphate (unsymmetrical) , its cas register number is 1474-80-2. It also can be called 4-04-00-00287 (Beilstein Handbook Reference) ; AI3-10599 ; BRN 1714680 ; Compound 6515 ; Diethyl bis-dimethyl pyrophosphordiamide asym ; Unsymmetrical diethyl bis(dimethylamido)pyrophosphate .

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