Product Name

  • Name

    benzene-1,3-diyl dicyanate

  • EINECS
  • CAS No. 1129-88-0
  • Article Data2
  • CAS DataBase
  • Density 1.289g/cm3
  • Solubility
  • Melting Point
  • Formula C8H4N2O2
  • Boiling Point 248.5°C at 760 mmHg
  • Molecular Weight 160.132
  • Flash Point 103.1°C
  • Transport Information
  • Appearance
  • Safety Low toxicity by ingestion and skin contact. A mild skin irritant. When heated to decomposition it emits toxic vapors of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 1129-88-0 (benzene-1,3-diyl dicyanate)
  • Hazard Symbols Low toxicity by ingestion and skin contact. A mild skin irritant.
  • Synonyms
  • PSA
  • LogP

Resorcinol dicyanate Chemical Properties

Molecule structure of Resorcinol dicyanate (CAS NO.1129-88-0):

IUPAC Name: (3-Cyanatophenyl) cyanate 
Molecular Weight: 160.12956 g/mol
Molecular Formula: C8H4N2O2 
Density: 1.289 g/cm3 
Boiling Point: 248.5 °C at 760 mmHg 
Flash Point: 103.1 °C
Index of Refraction: 1.547
Molar Refractivity: 39.43 cm3
Molar Volume: 124.2 cm3
Polarizability: 15.63×10-24 cm3
Surface Tension: 54.3 dyne/cm 
Enthalpy of Vaporization: 48.57 kJ/mol
Vapour Pressure: 0.0241 mmHg at 25 °C
XLogP3: 2.3
H-Bond Acceptor: 4
Rotatable Bond Count: 2
Exact Mass: 160.027277
MonoIsotopic Mass: 160.027277
Topological Polar Surface Area: 66
Heavy Atom Count: 12
Complexity: 210
Canonical SMILES: C1=CC(=CC(=C1)OC#N)OC#N
InChI: InChI=1S/C8H4N2O2/c9-5-11-7-2-1-3-8(4-7)12-6-10/h1-4H
InChIKey of Resorcinol dicyanate (CAS NO.1129-88-0): QQZZMAPJAKOSNG-UHFFFAOYSA-N

Resorcinol dicyanate Toxicity Data With Reference

1.    

skn-rbt 500 µL/24H MLD

     NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0571351 .
2.    

orl-rat LDLo:5 g/kg

     NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0571351 .
3.    

skn-rbt LD :>5200 mg/kg

     NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0571351 .

Resorcinol dicyanate Safety Profile

Low toxicity by ingestion and skin contact. A mild skin irritant. When heated to decomposition it emits toxic vapors of NOx.

Resorcinol dicyanate Specification

 Resorcinol dicyanate (CAS NO.1129-88-0) is also named as 1,3-Phenylene cyanate ; RDX 76679 ; Resorcy ; Cyanic acid, 1,3-phenylene ester ; Cyanic acid, m-phenylene ester (7CI,8CI) .

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