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Basic Information
CAS No.: 21000-42-0
Name: dipyridyl phosphate
Molecular Structure:
Molecular Structure of 21000-42-0 (dipyridyl phosphate)
Formula: C12H14N2•2C2H6O4P
Molecular Weight: 436.2
Synonyms: dipyridyl phosphate
Density: g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Poison by ingestion. Moderately toxic by skin contact. When heated to decomposition it emits very toxic fumes of POx and NOx.
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Chemistry

Empirical Formula of Dipyridyl phosphate (CAS NO.21000-42-0): C14H20N2O4P
Molecular Weight: 311.2928 
Structure of Dipyridyl phosphate (CAS NO.21000-42-0):
                     
IUPAC Name: Dimethyl phosphate ; 1-Methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium
Canonical SMILES: C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.COP(=O)([O-])OC
InChI: InChI=1S/C12H14N2.C2H7O4P/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;1-5-7(3,4)6-2/h3-10H,1-2H3;1-2H3,(H,3,4)/q+2;/p-1
InChIKey: QMOPFCUJPOQWSX-UHFFFAOYSA-M

Toxicity Data With Reference

1.    

orl-rat LD50:280 mg/kg

     GTPZAB    Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 24 (9)(1980),48.
2.    

skn-rat LD50:460 mg/kg

     GTPZAB    Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 24 (9)(1980),48.
3.    

orl-mus LD50:240 mg/kg

     GTPZAB    Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 24 (9)(1980),48.
4.    

orl-rbt LD50:295 mg/kg

     GTPZAB    Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 24 (9)(1980),48.
5.    

skn-rbt LD50:404 mg/kg

     GTPZAB    Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 24 (9)(1980),48.

Safety Profile

Poison by ingestion. Moderately toxic by skin contact. When heated to decomposition Dipyridyl phosphate (CAS NO.21000-42-0) emits very toxic fumes of POx and NOx.

Specification

 Dipyridyl phosphate , its cas register number is 21000-42-0. It also can be called CID30437 ; 4,4'-Bipyridinium, 1,1'-dimethyl-, bis(dimethylphosphate) ; and Dipyridyl hydrogen phosphate .