4,6-dimethyl-N-phenylpyrimidin-2-amine
C12H13N3
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Identification
- CAS Number
- 53112-28-0
- EC Number
- 414-220-3
- UN Number
- 3077
- Index Number
- 612-240-00-9
- PubChem CID
- 91650
Physical-chemical properties
- Molecular Formula
- C12H13N3
- Molar Mass
- 199.25 g/mol
- IUPAC Name
- 4,6-dimethyl-N-phenylpyrimidin-2-amine
Chemical Identifiers
- InChI
- InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)
- InChI Key
- ZLIBICFPKPWGIZ-UHFFFAOYSA-N
Overview
4,6-dimethyl-N-phenylpyrimidin-2-amine (CAS 53112-28-0) is an organic nitrogen heterocycle featuring substituted pyrimidine and aniline functionalities with pharmaceutical intermediate applications. This specialized chemical compound belongs to the pyrimidine family, characterized by its distinctive six-membered aromatic ring containing two nitrogen atoms. The molecule features methyl groups at positions 4 and 6 of the pyrimidine ring, with a phenylamine substituent at position 2, creating a structure that exhibits unique reactivity patterns valuable in synthetic chemistry applications. The molecular formula C12H13N3 reflects its relatively compact structure with a molecular weight of 199.25 g/mol. From a safety perspective, 4,6-dimethyl-N-phenylpyrimidin-2-amine is classified under the Aquatic Chronic 2 hazard category, indicating potential long-term effects on aquatic environments. The compound carries the GHS09 pictogram, emphasizing the need for proper environmental protection measures during handling and disposal. As a Class 9 material under ADR regulations, it requires appropriate documentation and handling procedures during transportation. Industrial applications primarily focus on pharmaceutical intermediate synthesis, where the compound serves as a building block for more complex therapeutic molecules. The pyrimidine scaffold is particularly valuable in medicinal chemistry for developing compounds with biological activity. Similar to other specialized intermediates like N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide, this compound finds use in custom synthesis projects requiring specific structural motifs. Research applications also utilize this compound in studies involving heterocyclic chemistry and drug discovery programs. The combination of pyrimidine and aniline functionalities makes it suitable for various chemical transformations and coupling reactions. OYSI maintains reliable supply chains for 4,6-dimethyl-N-phenylpyrimidin-2-amine to support European pharmaceutical and research sectors.
Safety & Classification
Aquatic Chronic 2
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
Toxic to aquatic life with long lasting effects.
Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).
First Aid Measures
Transport (ADR)
| UN Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Pyrimethanil (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is 4,6-dimethyl-N-phenylpyrimidin-2-amine?
4,6-dimethyl-N-phenylpyrimidin-2-amine is an organic chemical compound with the molecular formula C12H13N3 and CAS number 53112-28-0. This pyrimidine derivative features a phenyl group attached to the amino nitrogen at position 2, with methyl substituents at positions 4 and 6 of the pyrimidine ring. With a molecular weight of 199.25 g/mol, it belongs to the class of aromatic heterocyclic amines and is classified as potentially harmful to aquatic environments with long-lasting effects.
What are the physicochemical properties of 4,6-dimethyl-N-phenylpyrimidin-2-amine?
4,6-dimethyl-N-phenylpyrimidin-2-amine is a crystalline solid at room temperature with a molecular weight of 199.25 g/mol. As an aromatic amine compound, it typically appears as white to off-white crystals or powder. The compound contains both aromatic rings and nitrogen functionalities, which influence its solubility characteristics. Like most organic amines, it may have limited water solubility but better solubility in organic solvents. Its melting point and other specific physical properties should be confirmed through technical data sheets.
What is 4,6-dimethyl-N-phenylpyrimidin-2-amine used for?
4,6-dimethyl-N-phenylpyrimidin-2-amine is primarily used as an intermediate in pharmaceutical and agrochemical synthesis. This pyrimidine derivative serves as a building block for developing various bioactive compounds, including potential drug candidates and agricultural chemicals. Its structural features make it valuable in medicinal chemistry research and the synthesis of heterocyclic compounds. The compound may also find applications in materials science and as a precursor for developing specialized organic molecules in industrial research and development processes.
How to handle 4,6-dimethyl-N-phenylpyrimidin-2-amine safely?
4,6-dimethyl-N-phenylpyrimidin-2-amine should be handled with standard laboratory safety precautions including wearing appropriate personal protective equipment. Use chemical-resistant gloves, safety glasses, and lab coats when handling this compound. Ensure adequate ventilation or work in a fume hood to prevent inhalation. Avoid direct skin and eye contact. Given its Aquatic Chronic 2 classification, prevent environmental release. Always wash hands thoroughly after handling and follow good laboratory practices. Keep the work area clean and have emergency procedures readily available.
How to store 4,6-dimethyl-N-phenylpyrimidin-2-amine correctly?
4,6-dimethyl-N-phenylpyrimidin-2-amine should be stored in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers tightly sealed to prevent moisture absorption and contamination. Store separately from incompatible materials such as strong oxidizing agents and acids. Maintain storage temperatures according to manufacturer specifications. Ensure proper labeling and inventory management. The storage area should have appropriate spill containment measures and be accessible only to trained personnel. Regular inspection of containers for damage or deterioration is recommended.
What to do in case of contact with 4,6-dimethyl-N-phenylpyrimidin-2-amine?
In case of skin contact with 4,6-dimethyl-N-phenylpyrimidin-2-amine, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. If swallowed, do not induce vomiting and seek medical attention. In all cases of significant exposure, consult a physician promptly. Have safety data sheets readily available for medical personnel and report incidents according to workplace safety protocols.
How to dispose of 4,6-dimethyl-N-phenylpyrimidin-2-amine appropriately?
4,6-dimethyl-N-phenylpyrimidin-2-amine must be disposed of according to local, national, and international environmental regulations due to its Aquatic Chronic 2 classification. Contact licensed chemical waste disposal companies for proper handling. Never dispose of this compound through regular waste streams or pour down drains. Small quantities may require incineration at appropriate temperatures in licensed facilities. Contaminated packaging should also be treated as chemical waste. Always consult current regulatory guidelines and waste disposal experts to ensure compliance with environmental protection requirements.
How to transport 4,6-dimethyl-N-phenylpyrimidin-2-amine?
4,6-dimethyl-N-phenylpyrimidin-2-amine is classified as ADR Class 9, Packing Group III for transportation purposes. This classification indicates it is a miscellaneous dangerous substance requiring specific packaging and documentation. Use appropriate UN-specification packaging and ensure proper labeling with hazard identification. Transportation must comply with ADR regulations for road transport in Europe. Drivers require appropriate hazmat training and documentation. Shipping papers must include proper shipping names, hazard classes, and emergency contact information. Always verify current transportation regulations before shipment.
Is 4,6-dimethyl-N-phenylpyrimidin-2-amine subject to specific regulations?
4,6-dimethyl-N-phenylpyrimidin-2-amine is subject to REACH regulation in Europe and requires registration for manufacture or import above threshold quantities. It is classified under CLP regulation with GHS09 pictogram indicating environmental hazards. The compound is not currently listed as a SVHC (Substance of Very High Concern). Users must comply with classification, labeling, and safety data sheet requirements. Environmental release restrictions apply due to its aquatic toxicity classification. Always check current regulatory status as classifications and restrictions can change.
Where to buy 4,6-dimethyl-N-phenylpyrimidin-2-amine in Europe?
4,6-dimethyl-N-phenylpyrimidin-2-amine is available through OYSI, a specialized European distributor of chemical products. OYSI provides comprehensive support including technical documentation, regulatory compliance assistance, and reliable supply chain management across Europe. As an established chemical distributor, OYSI ensures product quality, proper packaging, and adherence to transportation regulations. Contact OYSI directly for availability, specifications, and pricing information. Their technical team can provide additional support for applications and safety requirements specific to your needs.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.