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Basic Information
CAS No.: 623-87-0
Name: 1,3-DINITROGLYCERIN
Molecular Structure:
Molecular Structure of 623-87-0 (1,3-DINITROGLYCERIN)
Formula: C3H6 N2 O7
Molecular Weight: 182.09
Synonyms: Glycerol,1,3-dinitrate (7CI,8CI); 1,3-Dinitroglycerin; 1,3-Glyceryl dinitrate
EINECS: 200-835-2
Density: 1.594 g/cm3
Melting Point: 26°C
Boiling Point: 170.2 °C at 760 mmHg
Flash Point: 56.8 °C
Solubility: 72.7g/L(20 oC)
Hazard Symbols: F,Xn
Risk Codes: 11-20/21/22-36
Safety: Moderately toxic by ingestion. An explosive forbidden for transport. When heated to decomposition it emits toxic vapors of NOx.
PSA: 130.33000
LogP: -0.18970
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Chemistry

Molecular Formula: C3H6N2O7
Molar mass: 182.0889 g/mol
Density: 1.594 g/cm3
Flash Point: 56.8 °C
Index of Refraction: 1.489
Boiling Point: 170.2 °C at 760 mmHg
Vapour Pressure: 0.477 mmHg at 25°C
Structure of Glyceryl-1,3-dinitrate (CAS NO.623-87-0):

XLogP3-AA: 0.1
H-Bond Donor: 1
H-Bond Acceptor: 7
IUPAC Name: (2-Hydroxy-3-nitrooxypropyl) nitrate
Canonical SMILES: C(C(CO[N+](=O)[O-])O)O[N+](=O)[O-]
InChI: InChI=1S/C3H6N2O7/c6-3(1-11-4(7)8)2-12-5(9)10/h3,6H,1-2H2 
InChIKey: ASIGVDLTBLZXNC-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:1065 mg/kg

     NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD-B011-150 .
2.    

orl-mus LD50:676 mg/kg

     NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD-B011-150 .

Safety Profile

Moderately toxic by ingestion. An explosive forbidden for transport. When heated to decomposition it emits toxic vapors of NOx.
 

RIDADR: 0473
HazardClass: 1.1A
PackingGroup: II

Standards and Recommendations

DOT Classification:  Forbidden

Specification

 Glyceryl-1,3-dinitrate (CAS NO.623-87-0) also can be called 1,2,3-Propanetriol, 1,3-dinitrate ; 1,3-Dng ; Propanetriol 1,3-dinitratee and 1,3-Dinitroglycerol .