| Identification | More | [Name]
1,2,4,5-TETRACYANOBENZENE | [CAS]
712-74-3 | [Synonyms]
1,2,4,5-BENZENETETRACARBONITRILE
1,2,4,5-TETRACYANOBENZENE
BENZENE-1,2,4,5-TETRACARBONITRILE
PYROMELLITIC ACID TETRANITRILE
PYROMELLITONITRILE
TCNB
TIMTEC-BB SBB008167
1,2,4,5-Benzenetetranitrile
1,2,4,5-Benzentetrakarbonitril
Benzene, 1,2,4,5-tetracyano-
Pyromellitic nitrile
Pyromellitic tetranitrile
pyromelliticnitrile
pyromellitictetranitrile
Pyromellitotetranitrile
s-Tetracyanobenzene
sym-Tetracyanobenzene
Tetracyanobenzene
1,2,4,5-Benzenetetracarbonitrile, Pyromellitic acid tetranitrile | [Molecular Formula]
C10H2N4 | [MDL Number]
MFCD00043481 | [Molecular Weight]
178.15 | [MOL File]
712-74-3.mol |
| Chemical Properties | Back Directory | [Appearance]
solid | [Melting point ]
265-268 °C(lit.)
| [Boiling point ]
300.36°C (rough estimate) | [density ]
1.35 g/cm3 | [refractive index ]
1.5200 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
acetone: soluble25mg/mL, clear, colorless to yellow | [form ]
powder to crystal | [color ]
White to Almost white | [Stability:]
Stable. Incompatible with strong oxidizing agents. | [Water Solubility ]
Soluble in water. | [BRN ]
1875027 | [InChI]
InChI=1S/C10H2N4/c11-3-7-1-8(4-12)10(6-14)2-9(7)5-13/h1-2H | [InChIKey]
FAAXSAZENACQBT-UHFFFAOYSA-N | [SMILES]
C1(C#N)=CC(C#N)=C(C#N)C=C1C#N | [CAS DataBase Reference]
712-74-3(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
T | [Risk Statements ]
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [RIDADR ]
UN 3439 6.1/PG 2
| [WGK Germany ]
3
| [RTECS ]
DB9100000
| [TSCA ]
N | [HazardClass ]
6.1(a) | [PackingGroup ]
II | [HS Code ]
29269090 | [Storage Class]
6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials | [Hazard Classifications]
Acute Tox. 2 Oral |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
N,N-Dimethylformamide-->Thionyl chloride-->Toluene-->Ammonium hydroxide-->Urea-->Acetamide-->1,2-Dichlorobenzene-->Pyromellitic Dianhydride-->4,5-dibromobenzene-1,2-dicarbonitrile-->PYROMELLITIC DIIMIDE-->1,2,4,5-BENZENETETRACARBOXAMIDE-->1,2,4,5-TETRABROMOBENZENE-->Pyromellitic acid-->ZINC CYANIDE | [Preparation Products]
1,2,4,5-tetra(1H-tetrazol-5-yl)benzene |
| Hazard Information | Back Directory | [Chemical Properties]
solid | [Uses]
1,2,4,5-Tetracyanobenzene (TCB, TCNB) is suitable reagent used in the synthesis of o-3,4-dimethyltetrathiafulvalene (o-Me2TTF)-1,2,4,5-tetracyanobenzene (TCNB) 1:1 complex and radiative exciplexes of TCB in non-polar solvents.
1,2,4,5-Tetracyanobenzene (Pyromellitic acid tetranitrile, PMTN, TCB, TCNB, 1,2,4,5-benzenetetracarbonitrile ) may be used in the following studies:
- Solid-state diffusion of TCNB into 9-methylanthracene molecular crystal nanorods forming cocrystal nanorods.
- Synthesis of copper polyphthalocyanine (CuPPC) thin films, an elementoorganic semiconductor.
- Preparation of charge transfer (CT) nanocrystallites which may have a potential use in nanofluidics to observe the rotational motion of nanoobjects.
- Hydrothermal synthesis of Co2(terpy)2(btec)?H2O (terpy = 2,2′:6′,2"-terpyridine, btec = 1,2,4,5-benzenetetracarboxylate).
| [Synthesis Reference(s)]
The Journal of Organic Chemistry, 27, p. 3520, 1962 DOI: 10.1021/jo01057a028 | [General Description]
1,2,4,5-Tetracyanobenzene (TCNB, TCB) is a tetra substituted benzene. The IR and raman spectra of TCNB and its 1:1 complex with durene has been recorded. The time-resolved linear dichroism spectroscopic study of hexamethylbenzene-1,2,4,5-tetracyanobenzene charge-transfer complex has been investigated. The influence of magnetic field on the charge-transfer fluorescence of 1,2,4,5-tetracyanobenzene-doped poly(N-vinylcarbazole) thin film has been studied. | [Purification Methods]
Crystallise the tetra-nitrile from EtOH and sublime in vacuo. [Lawton & McRitchie J Org Chem 24 26 1959, Bailey et al. Tetrahedron 19 161 1963, Beilstein 9 IV 3800.] |
| Spectrum Detail | Back Directory | [Spectrum Detail]
1,2,4,5-TETRACYANOBENZENE(712-74-3)MS
1,2,4,5-TETRACYANOBENZENE(712-74-3)1HNMR
1,2,4,5-TETRACYANOBENZENE(712-74-3)IR
1,2,4,5-TETRACYANOBENZENE(712-74-3)Raman
1,2,4,5-TETRACYANOBENZENE(712-74-3)FT-IR
|
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
|