1-Nitro-2-(trifluoromethyl)benzene structure
|
Common Name | 1-Nitro-2-(trifluoromethyl)benzene | ||
|---|---|---|---|---|
| CAS Number | 384-22-5 | Molecular Weight | 191.107 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 217.4±0.0 °C at 760 mmHg | |
| Molecular Formula | C7H4F3NO2 | Melting Point | 32ºC | |
| MSDS | N/A | Flash Point | 95.6±0.0 °C | |
Summary: 2-Nitrobenzotrifluoride, also known as 1-Nitro-2-(trifluoromethyl)benzene, Chinese name 2-硝基-Alpha,Alpha,Alpha-三氟甲苯, CAS number 384-22-5, molecular formula C7H4F3NO2, molecular weight 191.107. Appearance: yellow crystalline, melting point 32°C, boiling point 217.4°C, density 1.4g/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 | 2-Nitrobenzotrifluoride |
|---|---|
| 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 | 217.4±0.0 °C at 760 mmHg |
| Melting Point | 32ºC |
| Molecular Formula | C7H4F3NO2 |
| Molecular Weight | 191.107 |
| Flash Point | 95.6±0.0 °C |
| Exact Mass | 191.019409 |
| PSA | 45.82000 |
| LogP | 2.58 |
| Vapour Pressure | 0.2±0.4 mmHg at 25°C |
| Index of Refraction | 1.473 |
| InChIKey | NDZJSUCUYPZXPR-UHFFFAOYSA-N |
| SMILES | O=[N+]([O-])c1ccccc1C(F)(F)F |
| Water Solubility | insoluble |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
Synonym:2-Nitrobenzotrifluorid Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 22 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Harmful if swallowed. Irritating to eyes, respiratory system and skin. Potential Health Effects The toxicological properties of this material have not been investigated. Use appropriate procedures to prevent opportunities for direct contact with the skin or eyes and to prevent inhalation. Section 4 - FIRST AID MEASURES Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Skin: Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: 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. Notes to Physician: 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. Extinguishing Media: In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Sweep up, then place into a suitable container for disposal. Section 7 - HANDLING and STORAGE Handling: Not available. Storage: Not available. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits. Exposure Limits CAS# 384-22-5: United States OSHA: 2.5 mg/m3 TWA (as F) (listed under Fluorides Personal Protective Equipment Eyes: Wear safety glasses and chemical goggles if splashing is possible. Skin: Wear appropriate protective gloves and clothing to prevent skin exposure. Clothing: Wear appropriate protective clothing to minimize contact with skin. Respirators: Wear a NIOSH/MSHA or European Standard EN 149 approved full-facepiece airline respirator in the positive pressure mode with emergency escape provisions. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: colorless Odor: None reported. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 104.0 - 105.0 deg C @ 20.00mm Freezing/Melting Point: 31.00 - 32.00 deg C Autoignition Temperature: Not available. Flash Point: 95 deg C ( 203.00 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C7H4F3NO2 Molecular Weight: 191.11 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Not available. Incompatibilities with Other Materials: Strong oxidizing agents - strong bases - strong reducing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen fluoride gas, nitrogen. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 384-22-5 unlisted. LD50/LC50: Not available. Carcinogenicity: 2-Nitro-_,_,_-trifluorotoluene, 99% - 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: NITROBENZOTRIFLUORIDES Hazard Class: 6.1 UN Number: 2306 Packing Group: II IMO Shipping Name: NITROBENZOTRIFLUORIDES, LIQUID or SOLID Hazard Class: 6.1 UN Number: 2306 Packing Group: II RID/ADR Shipping Name: NITROBENZOTRIFLUORIDES Hazard Class: 6.1 UN Number: 2306 Packing group: II Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 22 Harmful if swallowed. R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 384-22-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 384-22-5 is listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 384-22-5 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 | R22;R36/37/38 |
| Safety Phrases | S24/25 |
| RIDADR | UN 2306 |
| RTECS | XT3480000 |
| Packaging Group | III |
| Hazard Class | 6.1(b) |
| HS Code | 2904909090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2904909090 |
|---|---|
| Summary | HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% 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.
| α,α,α-Trifluoronitrotoluene |
| 2-Nitro-α,α,α-trifluorotoluene |
| 1-Nitro-2-trifluoromethyl-benzene |
| 1-Nitro-2-(trifluoromethyl)benzene |
| MFCD00007145 |
| EINECS 206-855-8 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of 2-Nitrobenzotrifluoride? |
| A: Boiling point of 2-Nitrobenzotrifluoride is 217.4±0.0 °C at 760 mmHg. |
| Q: What is the polar surface area (PSA) of 2-Nitrobenzotrifluoride? |
| A: Polar surface area (PSA) of 2-Nitrobenzotrifluoride is 45.82000. |
| Q: What is the SMILES notation of 2-Nitrobenzotrifluoride? |
| A: SMILES notation of 2-Nitrobenzotrifluoride is O=[N+]([O-])c1ccccc1C(F)(F)F. |
| Q: What is the melting point of 2-Nitrobenzotrifluoride? |
| A: Melting point of 2-Nitrobenzotrifluoride is 32ºC. |
| Q: What are the downstream products of 2-Nitrobenzotrifluoride? |
| A: Related downstream products(CAS) of 2-Nitrobenzotrifluoride: 344-62-7;393-39-5;88-17-5;386-72-1;88-30-2;346-88-3;393-11-3;386-71-0;444-29-1;444-30-4. |
| Q: What is the safety information for 2-Nitrobenzotrifluoride? |
| A: Safety information for 2-Nitrobenzotrifluoride: S24/25. |
| Q: What is the molecular formula of 2-Nitrobenzotrifluoride? |
| A: Molecular formula of 2-Nitrobenzotrifluoride is C7H4F3NO2. |
| Q: What English synonyms does 2-Nitrobenzotrifluoride have? |
| A: English synonyms of 2-Nitrobenzotrifluoride: α,α,α-Trifluoronitrotoluene, 2-Nitro-α,α,α-trifluorotoluene, 1-Nitro-2-trifluoromethyl-benzene, 1-Nitro-2-(trifluoromethyl)benzene, MFCD00007145, EINECS 206-855-8. |
| Q: What is the English name of 2-Nitrobenzotrifluoride? |
| A: The English name of 2-Nitrobenzotrifluoride is 2-Nitrobenzotrifluoride. |
| Q: What is the InChIKey of 2-Nitrobenzotrifluoride? |
| A: InChIKey of 2-Nitrobenzotrifluoride is NDZJSUCUYPZXPR-UHFFFAOYSA-N. |
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. |