Carbonocyanidothioicamide, N-methyl structure
|
Common Name | Carbonocyanidothioicamide, N-methyl | ||
|---|---|---|---|---|
| CAS Number | 13621-47-1 | Molecular Weight | 100.14200 | |
| Density | 1.174g/cm3 | Boiling Point | 90-92ºC (0.1 mmHg) | |
| Molecular Formula | C3H4N2S | Melting Point | 37-46ºC | |
| MSDS | N/A | Flash Point | 143.9ºC | |
Summary: 1-cyano-N-methylmethanethioamide, Chinese name 1-氰-N-甲基硫代甲酰胺, CAS number 13621-47-1, molecular formula C3H4N2S, molecular weight 100.14200. The compound has a melting point of 37-46ºC and a boiling point of 90-92ºC (0.1 mmHg), with a density of 1.174g/cm3. 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-cyano-N-methylmethanethioamide |
|---|---|
| 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 | 1.174g/cm3 |
|---|---|
| Boiling Point | 90-92ºC (0.1 mmHg) |
| Melting Point | 37-46ºC |
| Molecular Formula | C3H4N2S |
| Molecular Weight | 100.14200 |
| Flash Point | 143.9ºC |
| Exact Mass | 100.01000 |
| PSA | 67.91000 |
| LogP | 0.44768 |
| Vapour Pressure | 0.000471mmHg at 25°C |
| Index of Refraction | 1.54 |
| InChIKey | FKNLHKZVRQVEFF-UHFFFAOYSA-N |
| SMILES | CNC(=S)C#N |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 20/21/22 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin.Moisture sensitive. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated. Inhalation: Harmful if inhaled. Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water. 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. Do NOT get water inside containers. Use water spray, dry chemical, carbon dioxide, or appropriate foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal 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. Do not get water inside containers. Section 7 - HANDLING and STORAGE Handling: 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. Use with adequate ventilation. Do not allow contact with water. Wash clothing before reuse. Keep from contact with moist air and steam. 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. Store protected from moisture. 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# 13621-47-1: 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: Solid Color: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 90 - 92 deg C @ .13 Freezing/Melting Point: 37 - 46 deg C Autoignition Temperature: Not available. Flash Point: > 110 deg C (> 230.00 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: NCCSNHCH3 Molecular Weight: 100.14 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Incompatible materials, moisture, excess heat, exposure to moist air or water. Incompatibilities with Other Materials: Not available. Hazardous Decomposition Products: Hydrogen cyanide, carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide, hydrogen sulfide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 13621-47-1 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-Cyano-N-methylthioformamide - 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 Shipping Name: NITRILES, SOLID, TOXIC, N.O.S.* Hazard Class: 6.1 UN Number: 3276 Packing Group: III IMO Shipping Name: NITRILES, TOXIC, N.O.S. Hazard Class: 6.1 UN Number: 3276 Packing Group: III RID/ADR Shipping Name: NITRILES, TOXIC, N.O.S. Hazard Class: 6.1 UN Number: 3276 Packing group: III 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. R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 13621-47-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 13621-47-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 13621-47-1 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.
| Hazard Codes | Xn: Harmful; |
|---|---|
| Risk Phrases | R36/37/38 |
| Safety Phrases | 36/37/39-26-22 |
| HS Code | 2930909090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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Carbonocyanidot... CAS#:13621-47-1 |
| Literature: Walter,W.; Bode,K.-D. Justus Liebigs Annalen der Chemie, 1966 , vol. 698, p. 131 - 144 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
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| DownStream 2 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2930909090 |
|---|---|
| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| cyano-N-methylthioformamide |
| Carbonocyanidothioic amide,methyl |
| N-methylcyanothioformamide |
| N-Methyl-cyanthioformamid |
| 1-cyano-N-methylthioformamide |
| EINECS 237-105-8 |
| Carbonocyanidothioicamide,N-methyl |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of 1-cyano-N-methylmethanethioamide? |
| A: CAS number of 1-cyano-N-methylmethanethioamide is 13621-47-1. |
| Q: What is the SMILES notation of 1-cyano-N-methylmethanethioamide? |
| A: SMILES notation of 1-cyano-N-methylmethanethioamide is CNC(=S)C#N. |
| Q: What is the molecular weight of 1-cyano-N-methylmethanethioamide? |
| A: Molecular weight of 1-cyano-N-methylmethanethioamide is 100.14200. |
| Q: What is the boiling point of 1-cyano-N-methylmethanethioamide? |
| A: Boiling point of 1-cyano-N-methylmethanethioamide is 90-92ºC (0.1 mmHg). |
| Q: What is the English name of 1-cyano-N-methylmethanethioamide? |
| A: The English name of 1-cyano-N-methylmethanethioamide is 1-cyano-N-methylmethanethioamide. |
| Q: What is the molecular formula of 1-cyano-N-methylmethanethioamide? |
| A: Molecular formula of 1-cyano-N-methylmethanethioamide is C3H4N2S. |
| Q: What are the upstream materials of 1-cyano-N-methylmethanethioamide? |
| A: Related upstream materials(CAS) of 1-cyano-N-methylmethanethioamide: 151-50-8;556-61-6. |
| Q: What is the melting point of 1-cyano-N-methylmethanethioamide? |
| A: Melting point of 1-cyano-N-methylmethanethioamide is 37-46ºC. |
| Q: What is the LogP of 1-cyano-N-methylmethanethioamide? |
| A: LogP of 1-cyano-N-methylmethanethioamide is 0.44768. |
| Q: What are the downstream products of 1-cyano-N-methylmethanethioamide? |
| A: Related downstream products(CAS) of 1-cyano-N-methylmethanethioamide: 1705-09-5;39088-41-0. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |