4-AMINO-2,6-DINITROTOLUENE
Modify Date: 2026-07-01 16:00:51
4-AMINO-2,6-DINITROTOLUENE structure
|
Common Name | 4-AMINO-2,6-DINITROTOLUENE | ||
|---|---|---|---|---|
| CAS Number | 3205-18-3 | Molecular Weight | 316.26600 | |
| Density | 1.381g/cm3 | Boiling Point | 461.213ºC at 760 mmHg | |
| Molecular Formula | C15H12N2O6 | Melting Point | 122-125ºC(lit.) | |
| MSDS | N/A | Flash Point | 196.635ºC | |
Summary: (S)-(+)-1-phenylethyl 3,5-dinitrobenzoate, also known as 4-amino-2,6-dinitrotoluene, has a CAS number of 3205-18-3, with a molecular formula of C15H12N2O6. 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 | [(1S)-1-phenylethyl] 3,5-dinitrobenzoate |
|---|---|
| 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 | 1.381g/cm3 |
|---|---|
| Boiling Point | 461.213ºC at 760 mmHg |
| Melting Point | 122-125ºC(lit.) |
| Molecular Formula | C15H12N2O6 |
| Molecular Weight | 316.26600 |
| Flash Point | 196.635ºC |
| Exact Mass | 316.07000 |
| PSA | 117.94000 |
| LogP | 4.46740 |
| Index of Refraction | 1.618 |
| InChIKey | YATKDADIXNBBCZ-JTQLQIEISA-N |
| SMILES | CC(OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
|
Version 1.4
Regulation (EC) No 1907/2006 1 - Product and Company Information Product Name(S)-(+)-1-PHENYLETHYL 3,5-DINITROBENZOAT E, 98% 2 - Hazards Identification 3 - Composition/Information on Ingredients Product NameCAS #EC noAnnex I Index Number (S)-(+)-1-PHENYLETHYL3205-18-3 NoneNone 3,5-DINITROBENZOATE,98% FormulaC15H12N2O6 Molecular Weight 316,2700 AMU 4 - First Aid Measures AFTER INHALATION If inhaled, remove to fresh air. If not breathing give artificial respiration. If breathing is difficult, give oxygen. AFTER SKIN CONTACT In case of contact, immediately wash skin with soap and copious amounts of water. AFTER EYE CONTACT In case of contact, immediately flush eyes with copious amounts of water for at least 15 minutes. AFTER INGESTION If swallowed, wash out mouth with water provided person is conscious. Call a physician. 5 - Fire Fighting Measures EXTINGUISHING MEDIA Suitable: Water spray. Carbon dioxide, dry chemical powder, or ALDRICHwww.molbase.com appropriate foam. SPECIAL RISKS Specific Hazard(s): Emits toxic fumes under fire conditions. SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS Wear self-contained breathing apparatus and protective clothing to prevent contact with skin and eyes. 6 - Accidental Release Measures PROCEDURE(S) OF PERSONAL PRECAUTION(S) Wear respirator, chemical safety goggles, rubber boots, and heavy rubber gloves. METHODS FOR CLEANING UP Sweep up, place in a bag and hold for waste disposal. Avoid raising dust. Ventilate area and wash spill site after material pickup is complete. 7 - Handling and Storage HANDLING Directions for Safe Handling: Avoid inhalation. Avoid contact with eyes, skin, and clothing. Avoid prolonged or repeated exposure. STORAGE Conditions of Storage: Keep tightly closed. Store in a cool dry place. 8 - Exposure Controls / Personal Protection ENGINEERING CONTROLS Safety shower and eye bath. Mechanical exhaust required. GENERAL HYGIENE MEASURES Wash thoroughly after handling. Wash contaminated clothing before reuse. PERSONAL PROTECTIVE EQUIPMENT Respiratory Protection: Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). Respiratory protection is not required. Where protection is desired, use multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges. Hand Protection: Compatible chemical-resistant gloves. Eye Protection: Chemical safety goggles. 9 - Physical and Chemical Properties pH N/A BP/BP RangeN/A MP/MP Range122,000. - 125,000 ° C. Flash PointN/A FlammabilityN/A Autoignition TempN/A Oxidizing Properties N/A Explosive Properties N/A ALDRICHwww.molbase.com Explosion LimitsN/A Vapor PressureN/A Partition Coefficient N/A ViscosityN/A Vapor DensityN/A Saturated Vapor Conc. N/A Evaporation RateN/A Bulk DensityN/A Decomposition Temp.N/A Solvent ContentN/A Water ContentN/A Surface TensionN/A ConductivityN/A Miscellaneous DataN/A SolubilityN/A 10 - Stability and Reactivity STABILITY Materials to Avoid: Strong oxidizing agents. HAZARDOUS DECOMPOSITION PRODUCTS Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide, Nitrogen oxides. 11 - Toxicological Information SIGNS AND SYMPTOMS OF EXPOSURE To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly investigated. ROUTE OF EXPOSURE Skin Contact: May cause skin irritation. Eye Contact: May cause eye irritation. Inhalation: Material may be irritating to mucous membranes and upper respiratory tract. Multiple Routes: May be harmful by inhalation, ingestion, or skin absorption. 12 - Ecological Information No data available. 13 - Disposal Considerations SUBSTANCE DISPOSAL Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. Observe all federal, state, and local environmental regulations. 14 - Transport Information RID/ADR Non-hazardous for road transport. IMDG Non-hazardous for sea transport. IATA ALDRICHwww.molbase.com Non-hazardous for air transport. 15 - Regulatory Information Caution: Substance not yet fully tested (EU). COUNTRY SPECIFIC INFORMATION Germany WGK: 3 Self-Classification 16 - Other Information WARRANTY The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. Inc., shall not be held liable for any damage resulting from handling or from contact with the above product. See reverse side of invoice or packing slip for additional terms and conditions of sale. Copyright 2010 Co. License granted to make unlimitedpaper copies for internal use only. DISCLAIMER For R&D use only. Not for drug, household or other uses. ALDRICHwww.molbase.com SECTION 16 - ADDITIONAL INFORMATION N/A |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2916399090 |
|---|
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 1 | |
CAS#:76886-55-0
CAS#:98-86-2
CAS#:98-85-1
CAS#:99-33-2
CAS#:22293-10-3
CAS#:99-34-3
CAS#:4237-44-9This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2916399090 |
|---|---|
| Summary | 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3,5-Dinitro-benzoesaeure-(1-phenyl-aethylester) |
| 3,5-dinitro-benzoic acid-(1-phenyl-ethyl ester) |
| (R,S)-sec-phenethyl-3,5-dinitrobenzoate |
| (+/-)-sec-Phenethyl alcohol 3,5-dinitrobenzoate |
| (S)-(+)-1-Phenylethyl 3,5-dinitrobenzoate |
| Benzoic acid,3,5-dinitro-,(1S)-1-phenylethyl ester |
| MFCD00674057 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the upstream materials of [(1S)-1-phenylethyl] 3,5-dinitrobenzoate? |
| A: Related upstream materials(CAS) of [(1S)-1-phenylethyl] 3,5-dinitrobenzoate: 76886-55-0;98-86-2;98-85-1;99-33-2;22293-10-3;99-34-3. |
| Q: What are the downstream products of [(1S)-1-phenylethyl] 3,5-dinitrobenzoate? |
| A: Related downstream products(CAS) of [(1S)-1-phenylethyl] 3,5-dinitrobenzoate: 4237-44-9. |
| Q: What is the melting point of [(1S)-1-phenylethyl] 3,5-dinitrobenzoate? |
| A: Melting point of [(1S)-1-phenylethyl] 3,5-dinitrobenzoate is 122-125ºC(lit.). |
| Q: What is the English name of [(1S)-1-phenylethyl] 3,5-dinitrobenzoate? |
| A: The English name of [(1S)-1-phenylethyl] 3,5-dinitrobenzoate is [(1S)-1-phenylethyl] 3,5-dinitrobenzoate. |
| Q: What English synonyms does [(1S)-1-phenylethyl] 3,5-dinitrobenzoate have? |
| A: English synonyms of [(1S)-1-phenylethyl] 3,5-dinitrobenzoate: 3,5-Dinitro-benzoesaeure-(1-phenyl-aethylester), 3,5-dinitro-benzoic acid-(1-phenyl-ethyl ester), (R,S)-sec-phenethyl-3,5-dinitrobenzoate, (+/-)-sec-Phenethyl alcohol 3,5-dinitrobenzoate, (S)-(+)-1-Phenylethyl 3,5-dinitrobenzoate, Benzoic acid,3,5-dinitro-,(1S)-1-phenylethyl ester, MFCD00674057. |
| Q: What is the LogP of [(1S)-1-phenylethyl] 3,5-dinitrobenzoate? |
| A: LogP of [(1S)-1-phenylethyl] 3,5-dinitrobenzoate is 4.46740. |
| Q: What is the polar surface area (PSA) of [(1S)-1-phenylethyl] 3,5-dinitrobenzoate? |
| A: Polar surface area (PSA) of [(1S)-1-phenylethyl] 3,5-dinitrobenzoate is 117.94000. |
| Q: What is the molecular weight of [(1S)-1-phenylethyl] 3,5-dinitrobenzoate? |
| A: Molecular weight of [(1S)-1-phenylethyl] 3,5-dinitrobenzoate is 316.26600. |
| Q: What is the CAS number of [(1S)-1-phenylethyl] 3,5-dinitrobenzoate? |
| A: CAS number of [(1S)-1-phenylethyl] 3,5-dinitrobenzoate is 3205-18-3. |
| Q: What is the SMILES notation of [(1S)-1-phenylethyl] 3,5-dinitrobenzoate? |
| A: SMILES notation of [(1S)-1-phenylethyl] 3,5-dinitrobenzoate is CC(OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |