ChemicalBook--->CAS DataBase List--->623-26-7

623-26-7

623-26-7 Structure

623-26-7 Structure
IdentificationMore
[Name]

1,4-Dicyanobenzene
[CAS]

623-26-7
[Synonyms]

1,4-BENZENEDICARBONITRILE
1,4-DICYANOBENZENE
4-PHTHALODINITRILE
BENZENE-1,4-DICARBONITRILE
P-PHTHALONITRILE
TEREPHTHALODINITRILE
TEREPHTHALONITRILE
1,4-Benzendikarbonitril
1,4-Benzodinitrile
4-Cyanobenzonitrile
Nitril kyseliny tereftalove
nitrilkyselinytereftalove
p-Benzenedinitrile
p-Cyanobenzonitrile
p-Dicyanobenzene
p-Pdn
p-Phthalodinitrile
Tereftalodinitril
Tereftalonitril
Terephthalic acid dinitrile
[EINECS(EC#)]

210-783-2
[Molecular Formula]

C8H4N2
[MDL Number]

MFCD00001810
[Molecular Weight]

128.13
[MOL File]

623-26-7.mol
Chemical PropertiesBack Directory
[Appearance]

biege powder
[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
[Stability:]

Stable. Incompatible with strong acids, strong bases, strong oxidizing agents, strong reducing agents.
[Water Solubility ]

0.08 g/L (23 ºC)
[Detection Methods]

HPLC
[BRN ]

1072210
[CAS DataBase Reference]

623-26-7(CAS DataBase Reference)
[NIST Chemistry Reference]

1,4-Benzenedicarbonitrile(623-26-7)
[EPA Substance Registry System]

623-26-7(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S24/25:Avoid contact with skin and eyes .
[RIDADR ]

3439
[WGK Germany ]

2
[RTECS ]

CZ1925000
[TSCA ]

Yes
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29269095
[Safety Profile]

Moderately toxic by ingestion and intraperitoneal routes. An eye irritant. When heated to decomposition it emits toxic fumes of CNand NO,. See also NITRILES.
[Toxicity]

LD50 orl-rat: >6400 mg/kg ZAARAM 19,225,69
Raw materials And Preparation ProductsBack Directory
[Raw materials]

P-XYLENE-->DL-Limonene-->4-Iodophenylboronic acid-->Ethyl (ethoxymethylene)cyanoacetate
[Preparation Products]

4-METHOXYCARBONYLBENZAMIDINE DIHYDROCHLORIDE-->1,4-Bis(aminomethyl)benzene-->Methyl 4-cyanobenzoate-->1,3-Bis(aminomethyl)benzene-->3,4-DIMETHYL-3,4-DIPHENYLHEXANE-->1,4-DIAMIDOXIMOBENZENE
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1,4-Dicyanobenzene(623-26-7).msds
Hazard InformationBack Directory
[Chemical Properties]

biege powder
[Uses]

1,4-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
[Purification Methods]

Crystallise 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.]
Spectrum DetailBack Directory
[Spectrum Detail]

1,4-Dicyanobenzene(623-26-7)MS
1,4-Dicyanobenzene(623-26-7)1HNMR
1,4-Dicyanobenzene(623-26-7)13CNMR
1,4-Dicyanobenzene(623-26-7)IR1
1,4-Dicyanobenzene(623-26-7)IR2
1,4-Dicyanobenzene(623-26-7)Raman
1,4-Dicyanobenzene(623-26-7)ESR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1,4-Dicyanobenzene, 98%(623-26-7)
[Alfa Aesar]

Terephthalonitrile, 98%(623-26-7)
[Sigma Aldrich]

623-26-7(sigmaaldrich)
[TCI AMERICA]

Terephthalonitrile,>98.0%(GC)(623-26-7)
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