1,2,4,5-TETRACYANOBENZENE
1,2,4,5-TETRACYANOBENZENE structure
|
Common Name | 1,2,4,5-TETRACYANOBENZENE | ||
|---|---|---|---|---|
| CAS Number | 712-74-3 | Molecular Weight | 178.150 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 446.1±45.0 °C at 760 mmHg | |
| Molecular Formula | C10H2N4 | Melting Point | 265-268 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 235.3±22.6 °C | |
| Symbol |
GHS06 |
Signal Word | Danger | |
Summary: 1,2,4,5-Tetracyanobenzene (CAS number: 712-74-3), with molecular formula C10H2N4 and molecular weight 178.150, is a white crystalline solid with a melting point of 265-268°C. This compound is used for synthesizing x-cyano-phthalocyanines and phthalocyanine derivatives. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1,2,4,5-Tetracyanobenzene |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| 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 |
| InChIKey | FAAXSAZENACQBT-UHFFFAOYSA-N |
| SMILES | N#Cc1cc(C#N)c(C#N)cc1C#N |
| Stability | Stable. Incompatible with strong oxidizing agents. |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
|
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| 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 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
1,2,4,5-TETRACY... CAS#:712-74-3 ~%
1,2,4,5-TETRACY... CAS#:712-74-3 |
| Literature: Journal of Organic Chemistry, , vol. 61, # 4 p. 1413 - 1420 |
|
1,2,4,5-TETRACY... CAS#:712-74-3 ~%
1,2,4,5-TETRACY... CAS#:712-74-3 |
| Literature: Journal of Organic Chemistry, , vol. 61, # 4 p. 1413 - 1420 |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| 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% |
This table lists relevant public references with title, journal and publication metadata for this compound.
|
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)
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Benzol-1,2,4,5-tetracarbonitril |
| MFCD00043481 |
| 1,2,4,5-Benzenetetracarbonitrile |
| benzene-1,2,4,5-tetracarbonitrile |
| 1,2,4,5-TETRACYANOBENZENE |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular weight of 1,2,4,5-Tetracyanobenzene? |
| A: Molecular weight of 1,2,4,5-Tetracyanobenzene is 178.150. |
| Q: What is the boiling point of 1,2,4,5-Tetracyanobenzene? |
| A: Boiling point of 1,2,4,5-Tetracyanobenzene is 446.1±45.0 °C at 760 mmHg. |
| Q: What is the safety information for 1,2,4,5-Tetracyanobenzene? |
| A: Safety information for 1,2,4,5-Tetracyanobenzene: S36/37/39-S45. |
| Q: What is the molecular formula of 1,2,4,5-Tetracyanobenzene? |
| A: Molecular formula of 1,2,4,5-Tetracyanobenzene is C10H2N4. |
| Q: What is the CAS number of 1,2,4,5-Tetracyanobenzene? |
| A: CAS number of 1,2,4,5-Tetracyanobenzene is 712-74-3. |
| Q: What is the LogP of 1,2,4,5-Tetracyanobenzene? |
| A: LogP of 1,2,4,5-Tetracyanobenzene is -0.85. |
| Q: What is the melting point of 1,2,4,5-Tetracyanobenzene? |
| A: Melting point of 1,2,4,5-Tetracyanobenzene is 265-268 °C(lit.). |
| Q: What English synonyms does 1,2,4,5-Tetracyanobenzene have? |
| A: English synonyms of 1,2,4,5-Tetracyanobenzene: Benzol-1,2,4,5-tetracarbonitril, MFCD00043481, 1,2,4,5-Benzenetetracarbonitrile, benzene-1,2,4,5-tetracarbonitrile, 1,2,4,5-TETRACYANOBENZENE. |
| Q: What is the SMILES notation of 1,2,4,5-Tetracyanobenzene? |
| A: SMILES notation of 1,2,4,5-Tetracyanobenzene is N#Cc1cc(C#N)c(C#N)cc1C#N. |
| Q: What is the English name of 1,2,4,5-Tetracyanobenzene? |
| A: The English name of 1,2,4,5-Tetracyanobenzene is 1,2,4,5-Tetracyanobenzene. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |