1,4-Dicyanobenzene

1,4-Dicyanobenzene Basic information
Product Name:1,4-Dicyanobenzene
Synonyms:Terephthaloyl nitrile;1,4-Dicyanobenzene, 98% 100GR;1,4-Dicyanobenzene, 98% 25GR;1,4-Dicyanobenzene 98%;Terephthalonitrile Vetec(TM) reagent grade, 98%;Terephthalodinitrile for synthesis;1,4-Benzendikarbonitril;1,4-Benzodinitrile
CAS:623-26-7
MF:C8H4N2
MW:128.13
EINECS:210-783-2
Product Categories:Nitrile series;Building Blocks;C8 to C9;Chemical Synthesis;Nitrogen Compounds;Organic Building Blocks;Aromatic Nitriles;oled materials;C8 to C9;Cyanides/Nitriles;Nitrogen Compounds
Mol File:623-26-7.mol
1,4-Dicyanobenzene Structure
1,4-Dicyanobenzene Chemical Properties
Melting point 221-225 °C (lit.)
Boiling point 227.54°C (rough estimate)
density 1.3g/cm3(25℃)
vapor density 4.42
refractive index 1.6231 (estimate)
storage temp. Sealed in dry,Room Temperature
solubility Chloroform (Slightly), DMSO (Slightly)
form Powder
color White to light yellow
Water Solubility 0.08 g/L (23 ºC)
BRN 1072210
Exposure limitsNIOSH: IDLH 25 mg/m3
Stability:Stable. Incompatible with strong acids, strong bases, strong oxidizing agents, strong reducing agents.
CAS DataBase Reference623-26-7(CAS DataBase Reference)
NIST Chemistry Reference1,4-Benzenedicarbonitrile(623-26-7)
EPA Substance Registry System1,4-Benzenedicarbonitrile (623-26-7)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-24/25
RIDADR 3439
WGK Germany 2
RTECS CZ1925000
TSCA Yes
HazardClass 6.1(b)
PackingGroup III
HS Code 29269095
ToxicityLD50 orl-rat: >6400 mg/kg ZAARAM 19,225,69
MSDS Information
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1,4-Dicyanobenzene Usage And Synthesis
Chemical Propertiesbiege powder
Uses1,4-dicyanobenzene as a new internal standard in utilizing solid-state infrared intensity methods for the determination of thiocyanate bonding. Used as photosensitizer in [2+2] cycloadditions, nitrile building block.
Synthesis Reference(s)The Journal of Organic Chemistry, 51, p. 4714, 1986 DOI: 10.1021/jo00374a041
Tetrahedron Letters, 8, p. 759, 1967
Safety ProfileModerately toxic by ingestion and intraperitoneal routes. An eye irritant. When heated to decomposition it emits toxic fumes of CNand NO,. See also NITRILES.
Purification MethodsCrystallise the dinitrile from EtOH or AcOH, and has m 221.5-222.5o after sublimation. [Beilstein 9 H 846, 9 I 376, 9 II 613, 9 III 4255, 9 IV 3328.]
5-Methyl-1,3-dicyanobenzene 4-N-BUTOXY-1,2-DICYANOBENZENE,4-Butoxy-1,2-dicyanobenzene 1,2-Diamino-4,5-dicyanobenzene Dicyanobenzene Tetrachloroterephthalonitrile Phenyl benzonitrile 7,12-DICYANOBENZO[K]FLUORANTHENE 1,4-DICYANO-2-(TRIFLUOROMETHOXY)BENZENE 2,5-Dicyanotoluene 1,2-DICHLORO-4,5-DICYANOBENZENE 4-TERT-BUTYL-1,2-DICYANOBENZENE 1,4-DICHLORO-2,5-DICYANOBENZENE 2,5-DIMETHYLTEREPHTHALONITRILE 9,10-DICYANOANTHRACENE 2-AMINO-3,5,6-TRIFLUOROTEREPHTHALONITRILE 1,4-DICYANO-2-ETHYLBENZENE 1,4-BENZENEDICARBONITRILE NN'-DIOXIDE 1,4-DIBUTOXY-2,3-DICHLORO-5,6-DICYANOBENZENE

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