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| CAS No.: | 1129-88-0 |
|---|---|
| Name: | benzene-1,3-diyl dicyanate |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C8H4N2O2 |
| Molecular Weight: | 160.132 |
| Density: | 1.289g/cm3 |
| Boiling Point: | 248.5°C at 760 mmHg |
| Flash Point: | 103.1°C |
| Hazard Symbols: | Low toxicity by ingestion and skin contact. A mild skin irritant. |
| Safety: | Low toxicity by ingestion and skin contact. A mild skin irritant. When heated to decomposition it emits toxic vapors of NOx. |
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Chemistry
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
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 . |
Safety Profile
Low toxicity by ingestion and skin contact. A mild skin irritant. When heated to decomposition it emits toxic vapors of NOx.
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) .