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1518-15-6

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Basic Information
CAS No.: 1518-15-6
Name: (1,4-CYCLOHEXANEDIYLIDENE)-DIMALONONITRILE
Article Data: 8
Molecular Structure:
Molecular Structure of 1518-15-6 ((1,4-CYCLOHEXANEDIYLIDENE)-DIMALONONITRILE)
Formula: C12H8 N4
Molecular Weight: 208.222
Synonyms: D1,a:4,a'-Cyclohexanedimalononitrile (7CI,8CI);1,4-Bis(dicyanomethylene)cyclohexane; NSC 57669
Density: 1.271g/cm3
Boiling Point: 469.3°Cat760mmHg
Flash Point: 239.6°C
Safety: Poison by intravenous route. When heated to decomposition it emits toxic vapors of NOx.
PSA: 95.16000
LogP: 2.24792
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Chemistry

Molecular Structure of 1,4-Bis(dicyanomethylene)cyclohexane (CAS NO.1518-15-6):


IUPAC: 2,2'-Cyclohexane-1,4-diylidenedipropanedinitrile
Molecular Formula:C12H8N4
Molecular Weight:208.22
EINECS:216-173-2
Density:1.271g/cm3
Boiling point:469.3oC at 760mmHg
Flash point:239.6oC
Index of Refraction:1.577
Molar Volume:163.7 cm3
Surface Tension:73.1 dyne/cm 
Molar Refractivity:54.28 cm3
Enthalpy of Vaporization:73.16 kJ/mol
Vapour Pressure:5.57E-09 mmHg at 25oC
SMILES:N#C/C(C#N)=C1/CC/C(=C(\C#N)C#N)CC1
InChI:InChI=1/C12H8N4/c13-5-11(6-14)9-1-2-10(4-3-9)12(7-15)8-16/h1-4H2
InChIKey:NXQNMVFWIRBUHX-UHFFFAOYAG 

Toxicity Data With Reference

1.    

ivn-mus LD50:56 mg/kg

     CSLNX*    U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#05268 .

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by intravenous route. When heated to decomposition it emits toxic vapors of NOx.

Specification

 1,4-Bis(dicyanomethylene)cyclohexane with cas registry number of 1518-15-6 is also known as 1,4-Bis(dicyanomethylene)cyclohexane ; Propanedinitrile, 2,2'-(1,4-cyclohexanediylidene)bis- ; delta(1,alpha:4,alpha')-Cyclohexanedimalononitrile ; delta(sup1alpha:4alpha')Cyclohexanedimalononitrile ; delta1,alpha:4,alpha'-Cyclohexanedimalonitrile ; 2,2'-(1,4-Cyclohexanediylidene)bismalononitrile ; Propanedinitrile, 2,2'-(1,4-cyclohexanediylidene)bis- ; delta(sup 1-alpha,4-alpha')-Cyclohexanedimalononitrile ; delta1,alpha:4,alpha'-Cyclohexanedimalononitrile (8CI) . 1,4-Bis(dicyanomethylene)cyclohexane with cas registry number of 1518-15-6 is used as a pharmaceutical intermediate . It should be stored in a tightly closed container when not in use and stored in a cool, dry place.