3,4-Dicyanothiophene structure
|
Common Name | 3,4-Dicyanothiophene | ||
|---|---|---|---|---|
| CAS Number | 18853-32-2 | Molecular Weight | 134.158 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 339.0±27.0 °C at 760 mmHg | |
| Molecular Formula | C6H2N2S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 158.8±23.7 °C | |
Summary: 3,4-Dicyanothiophene (CAS number: 18853-32-2), with molecular formula C6H2N2S and molecular weight 134.158, has a boiling point of 339.0±27.0 °C. 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 | thiophene-3,4-dicarbonitrile |
|---|---|
| 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 | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 339.0±27.0 °C at 760 mmHg |
| Molecular Formula | C6H2N2S |
| Molecular Weight | 134.158 |
| Flash Point | 158.8±23.7 °C |
| Exact Mass | 133.993866 |
| PSA | 75.82000 |
| LogP | 0.35 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.596 |
| InChIKey | JSLBLMYJYPZTEB-UHFFFAOYSA-N |
| SMILES | N#Cc1cscc1C#N |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 20/21/22 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: Harmful if inhaled. May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid. Skin: In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse. Ingestion: If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Treat symptomatically and supportively. Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Avoid contact with skin and eyes. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Store in a cool, dry place. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 18853-32-2: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Not available. Color: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C6H2N2S Molecular Weight: 134.16 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Excess heat. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 18853-32-2 unlisted. LD50/LC50: Not available. Carcinogenicity: 3,4-Dicyanothiophene - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA No information available. IMO No information available. RID/ADR No information available. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. Safety Phrases: S 36/39 Wear suitable protective clothing and eye/face protection. WGK (Water Danger/Protection) CAS# 18853-32-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 18853-32-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 18853-32-2 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2934999090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~81%
3,4-Dicyanothiophene CAS#:18853-32-2 |
| Literature: Crayston, Joe A.; Iraqi, Ahmed; Mallon, Philip; Walton, John C. Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1993 , # 9 p. 1589 - 1596 |
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3,4-Dicyanothiophene CAS#:18853-32-2 |
| Literature: US2003/45540 A1, ; |
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3,4-Dicyanothiophene CAS#:18853-32-2 |
| Literature: Synthesis, , # 1 p. 23 - 25 |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2934999090 |
|---|---|
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3.4-Thienyl dicyanide |
| 3,4-Thienyldicarbonitrile |
| 3,4-Thiophenedicarbonitrile |
| T5SJ CCN DCN |
| 3,4-Dicyanothiophene |
| thiophene-3,4-dicarbonitrile |
| 3,4-Thienodinitrile |
| 4-dicarbonitrile |
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 thiophene-3,4-dicarbonitrile? |
| A: Molecular weight of thiophene-3,4-dicarbonitrile is 134.158. |
| Q: What is the polar surface area (PSA) of thiophene-3,4-dicarbonitrile? |
| A: Polar surface area (PSA) of thiophene-3,4-dicarbonitrile is 75.82000. |
| Q: What is the InChIKey of thiophene-3,4-dicarbonitrile? |
| A: InChIKey of thiophene-3,4-dicarbonitrile is JSLBLMYJYPZTEB-UHFFFAOYSA-N. |
| Q: What is the boiling point of thiophene-3,4-dicarbonitrile? |
| A: Boiling point of thiophene-3,4-dicarbonitrile is 339.0±27.0 °C at 760 mmHg. |
| Q: What is the molecular formula of thiophene-3,4-dicarbonitrile? |
| A: Molecular formula of thiophene-3,4-dicarbonitrile is C6H2N2S. |
| Q: What is the LogP of thiophene-3,4-dicarbonitrile? |
| A: LogP of thiophene-3,4-dicarbonitrile is 0.35. |
| Q: What is the SMILES notation of thiophene-3,4-dicarbonitrile? |
| A: SMILES notation of thiophene-3,4-dicarbonitrile is N#Cc1cscc1C#N. |
| Q: What is the CAS number of thiophene-3,4-dicarbonitrile? |
| A: CAS number of thiophene-3,4-dicarbonitrile is 18853-32-2. |
| Q: What English synonyms does thiophene-3,4-dicarbonitrile have? |
| A: English synonyms of thiophene-3,4-dicarbonitrile: 3.4-Thienyl dicyanide, 3,4-Thienyldicarbonitrile, 3,4-Thiophenedicarbonitrile, T5SJ CCN DCN, 3,4-Dicyanothiophene, thiophene-3,4-dicarbonitrile, 3,4-Thienodinitrile, 4-dicarbonitrile. |
| Q: What is the English name of thiophene-3,4-dicarbonitrile? |
| A: The English name of thiophene-3,4-dicarbonitrile is thiophene-3,4-dicarbonitrile. |
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. |