1,2,4,5-TETRACYANOBENZENE

Names

[ CAS No. ]:
712-74-3

[ Name ]:
1,2,4,5-TETRACYANOBENZENE

[Synonym ]:
Benzol-1,2,4,5-tetracarbonitril
MFCD00043481
1,2,4,5-Benzenetetracarbonitrile
benzene-1,2,4,5-tetracarbonitrile
1,2,4,5-TETRACYANOBENZENE

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
446.1±45.0 °C at 760 mmHg

[ Melting Point ]:
265-268 °C(lit.)

[ Molecular Formula ]:
C₁₀H₂N₄

[ Molecular Weight ]:
178.150

[ Flash Point ]:
235.3±22.6 °C

[ Exact Mass ]:
178.027939

[ PSA ]:
95.16000

[ LogP ]:
-0.85

[ Vapour Pressure ]:
0.0±1.1 mmHg at 25°C

[ Index of Refraction ]:
1.610

[ Stability ]:
Stable. Incompatible with strong oxidizing agents.

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DB9100000

CHEMICAL NAME :: 1,2,4,5-Benzenetetracarbonitrile

CAS REGISTRY NUMBER :: 712-74-3

LAST UPDATED :: 199410

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C10-H2-N4

MOLECULAR WEIGHT :: 178.16

WISWESSER LINE NOTATION :: NCR BCN DCN ECN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 28 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: TPKVAL Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. (Izdatel'stvo Meditsina, Moscow, USSR) No.1- 1961- Volume(issue)/page/year: 7,180,1965

Safety Information

[ Symbol ]:

GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H300-H311-H331

[ Precautionary Statements ]:
P261-P264-P280-P301 + P310-P311

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges

[ Hazard Codes ]:
T

[ Risk Phrases ]:
R23/24/25

[ Safety Phrases ]:
S36/37/39-S45

[ RIDADR ]:
UN 3439 6.1/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
DB9100000

[ Packaging Group ]:
II

[ Hazard Class ]:
6.1(a)

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Customs

[ HS Code ]: 2926909090

[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles

Inelastic and quasielastic neutron scattering and IR and R spectroscopic studies of 1, 2, 4, 5-tetracyanobenzene (TCNB)-1, 2, 4, 5-tetramethylbenzene (durene) complex. Bator G, et al.

Phase Transitions 80(6-7) , 489-500, (2007)

Application of time-resolved linear dichroism spectroscopy: Relaxation of excited hexamethylbenzene/1, 2, 4, 5-tetracyanobenzene charge-transfer complexes. Arnold BR, et al.

J. Phys. Chem. A 105(3) , 537-543, (2001)

Structural Studies of the 1: 1 Complex of o-3, 4-Dimethyltetrathiafulvalene (o-Me₂TTF) and 1, 2, 4, 5-Tetracyanobenzene (TCNB). Reinheimer EW, et al.

J. Chem. Crystallogr. 40(6) , 514-519, (2010)