Benzenamine,N-ethyl-2,4-dinitro structure
|
Common Name | Benzenamine,N-ethyl-2,4-dinitro | ||
|---|---|---|---|---|
| CAS Number | 3846-50-2 | Molecular Weight | 211.17500 | |
| Density | 1.416g/cm3 | Boiling Point | 363.3ºC at 760mmHg | |
| Molecular Formula | C8H9N3O4 | Melting Point | 110-113ºC(lit.) | |
| MSDS | N/A | Flash Point | 173.5ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | N-ethyl-2,4-dinitroaniline |
|---|---|
| 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 | 1.416g/cm3 |
|---|---|
| Boiling Point | 363.3ºC at 760mmHg |
| Melting Point | 110-113ºC(lit.) |
| Molecular Formula | C8H9N3O4 |
| Molecular Weight | 211.17500 |
| Flash Point | 173.5ºC |
| Exact Mass | 211.05900 |
| PSA | 103.67000 |
| LogP | 3.05420 |
| Index of Refraction | 1.638 |
| InChIKey | YYOUTZBUOQBAAE-UHFFFAOYSA-N |
| SMILES | CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] |
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 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Harmful by inhalation and in contact with skin.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Methemoglobinemia is characterized by dizziness, drowsiness, headache, shortness of breath, cyanosis (bluish discoloration of skin due to deficient oxygenation of the blood), rapid heart rate and chocolate-brown colored blood. Overexposure may cause methemoglobinemia. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Methemoglobinemia is characterized by dizziness, drowsiness, headache, shortness of breath, cyanosis (bluish discoloration of skin due to deficient oxygenation of the blood), rapid heart rate and chocolate-brown blood. Inhalation of aniline causes anoxia due to the formation of methemoglobin. Chronic: May cause methemoglobinemia, which is characterized by chocolate-brown colored blood, headache, weakness, dizziness, breath shortness, cyanosis (bluish skin due to deficient oxygenation of blood), rapid heart rate, unconsciousness and possible death. Section 4 - FIRST AID MEASURES Eyes: 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. 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. Do NOT use mouth-to-mouth resuscitation. Notes to Physician: For methemoglobinemia, administer oxygen alone or with Methylene Blue depending on the methemoglobin concentration in the blood. Antidote: Methylene blue, alone or in combination with oxygen is indicated as a treatment in nitrite induced methemoglobinemia. 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. Use water spray to keep fire-exposed containers cool. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Combustible material; may burn but does not ignite readily. Extinguishing Media: Do NOT get water inside containers. For small fires, use dry chemical, carbon dioxide, or water spray. For large fires, use dry chemical, carbon dioxide, alcohol-resistant foam, or water spray. Cool containers with flooding quantities of water until well after fire is out. 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. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: 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# 3846-50-2: 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. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Powder Color: brown Odor: aniline-like pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 110.00 - 113.00 deg C Autoignition Temperature: Not applicable. Flash Point: > 112 deg C (> 233.60 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C8H9N3O4 Molecular Weight: 211.18 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, dust generation, excess heat. Incompatibilities with Other Materials: Acid anhydrides, acid chlorides, acids, chloroformates, strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 3846-50-2 unlisted. LD50/LC50: Not available. Carcinogenicity: 2,4-Dinitro-N-Ethylaniline - 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: TOXIC LIQUID, ORGANIC, N.O.S.* Hazard Class: 6.1 UN Number: 2810 Packing Group: III IMO Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2810 Packing Group: III RID/ADR Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2810 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 Harmful by inhalation and in contact with skin. Safety Phrases: S 23 Do not inhale gas/fumes/vapour/spray. S 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 3846-50-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 3846-50-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 3846-50-2 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.
| Hazard Codes | Xn: Harmful; |
|---|---|
| Risk Phrases | R20/21 |
| Safety Phrases | S23 |
| HS Code | 2921420090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2921420090 |
|---|---|
| Summary | HS:2921420090 aniline derivatives and their salts VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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.
| N1-ethyl-2,4-dinitroaniline |
| N-ethyl-2,4-dinitro-aniline |
| 2,4-Dinitro-N-ethylaniline |
| 2,4-DINITRO-N-ETHYLANILINE |
| N-Aethyl-2,4-dinitro-anilin |
| 2,4-DIBROMO-1H-IMIDAZOLE |
| N-ethyl-2,4-dinitro-benzenamine |
| Benzenamine,N-ethyl-2,4-dinitro |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of N-ethyl-2,4-dinitroaniline? |
| A: The English name of N-ethyl-2,4-dinitroaniline is N-ethyl-2,4-dinitroaniline. |
| Q: What is the melting point of N-ethyl-2,4-dinitroaniline? |
| A: Melting point of N-ethyl-2,4-dinitroaniline is 110-113ºC(lit.). |
| Q: What is the InChIKey of N-ethyl-2,4-dinitroaniline? |
| A: InChIKey of N-ethyl-2,4-dinitroaniline is YYOUTZBUOQBAAE-UHFFFAOYSA-N. |
| Q: What is the boiling point of N-ethyl-2,4-dinitroaniline? |
| A: Boiling point of N-ethyl-2,4-dinitroaniline is 363.3ºC at 760mmHg. |
| Q: What is the safety information for N-ethyl-2,4-dinitroaniline? |
| A: Safety information for N-ethyl-2,4-dinitroaniline: S23. |
| Q: What is the SMILES notation of N-ethyl-2,4-dinitroaniline? |
| A: SMILES notation of N-ethyl-2,4-dinitroaniline is CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]. |
| Q: What English synonyms does N-ethyl-2,4-dinitroaniline have? |
| A: English synonyms of N-ethyl-2,4-dinitroaniline: N1-ethyl-2,4-dinitroaniline, N-ethyl-2,4-dinitro-aniline, 2,4-Dinitro-N-ethylaniline, 2,4-DINITRO-N-ETHYLANILINE, N-Aethyl-2,4-dinitro-anilin, 2,4-DIBROMO-1H-IMIDAZOLE, N-ethyl-2,4-dinitro-benzenamine, Benzenamine,N-ethyl-2,4-dinitro. |
| Q: What is the LogP of N-ethyl-2,4-dinitroaniline? |
| A: LogP of N-ethyl-2,4-dinitroaniline is 3.05420. |
| Q: What is the molecular formula of N-ethyl-2,4-dinitroaniline? |
| A: Molecular formula of N-ethyl-2,4-dinitroaniline is C8H9N3O4. |
| Q: What is the polar surface area (PSA) of N-ethyl-2,4-dinitroaniline? |
| A: Polar surface area (PSA) of N-ethyl-2,4-dinitroaniline is 103.67000. |
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. |