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Cas Database |
| Name |
Dicyanoacetylene |
EINECS | N/A |
| CAS No. | 1071-98-3 | Density | 1.176g/cm3 |
| PSA | 47.58000 | LogP | 0.03696 |
| Solubility | N/A | Melting Point |
20.5°C |
| Formula | C4N2 | Boiling Point | 76.5°Cat760mmHg |
| Molecular Weight | 76.0574 | Flash Point | °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | The pure material and concentrated solutions are potenially explosive. Ignites in air at 130°C. The flame temperature in oxygen can reach 4700°C. When heated to decomposition it emits toxic fumes of CN− and NOx. See also NITRILES and ACETYLENE COMPOUNDS and ALKYNES. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Acetylenedicarbonitrile(6CI,7CI,8CI); 1,2-Dicyanoacetylene; 1,2-Dicyanoethyne; Dicyanoacetylene;Dicyanoethyne |
Article Data | 4 |
Dicyanoacetylene Chemical Properties
Empirical Formula: C4N2
Molecular Weight: 76.0562 g/mol
Index of Refraction: 1.481
Density: 1.176 g/cm3
Melting point: 20.5 °C
Enthalpy of Vaporization: 31.76 kJ/mol
Boiling Point: 76.5 °C at 760 mmHg
Vapour Pressure: 101 mmHg at 25 °C
Structure of Dicyanoacetylene (CAS NO.1071-98-3):
IUPAC Name of Dicyanoacetylene (CAS NO.1071-98-3): But-2-ynedinitrile
Canonical SMILES: C(#CC#N)C#N
InChI: InChI=1S/C4N2/c5-3-1-2-4-6
InChIKey: ZEHZNAXXOOYTJM-UHFFFAOYSA-N
Dicyanoacetylene Uses
Dicyanoacetylene (CAS NO.1071-98-3) is a useful reagent for Diels-Alder reactions with unreactive dienes. And, it has bben added to the aromatic compound durene to form a substituted bicyclooctatriene.
Dicyanoacetylene Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LDLo | subcutaneous | 195mg/kg (195mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 152, Pg. 1707, 1911. |
| mouse | LD50 | oral | 526mg/kg (526mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | "Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 106, 1999. |
| rabbit | LDLo | intravenous | 73mg/kg (73mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 152, Pg. 1707, 1911. |
| rat | LC50 | inhalation | 12mg/m3 (12mg/m3) | LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA | "Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 106, 1999. |
| rat | LD50 | oral | 441mg/kg (441mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | "Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 106, 1999. |
Dicyanoacetylene Consensus Reports
CYANIDE and its compounds are on the Community Right-To-Know List.
Dicyanoacetylene Safety Profile
The pure material and concentrated solutions are potenially explosive. Ignites in air at 130°C. The flame temperature in OXYGEN can reach 4700°C. When heated to decomposition it emits toxic fumes of CN− and NOx. See also NITRILES and ACETYLENE COMPOUNDS and ALKYNES.
Dicyanoacetylene Specification
Dicyanoacetylene ,its cas register number is 1071-98-3. It also can be called But-2-ynedinitrile ;and Carbon subnitride . It has a linear structure with alternating triple and single covalent bonds, and it can explode to carbon powder and nitrogen gas for its high endothermic heat of formation. As of 2006, its the detection in the interstellar medium has been impossible, because its symmetry means it has no rotational microwave spectrum.
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