4,6-dimethyl-N-phenylpyrimidin-2-amine

C12H13N3

CAS53112-28-0
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt

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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 aromatic pyrimidine derivative with specialized applications in chemical synthesis and pharmaceutical intermediates. This nitrogen-containing heterocyclic compound belongs to the pyrimidine family, characterized by its distinctive ring structure featuring two methyl substituents at positions 4 and 6, and a phenyl-amino group at position 2. With the molecular formula C12H13N3 and a molecular weight of 199.25 g/mol, this compound exhibits typical aromatic properties combined with the unique reactivity patterns associated with pyrimidine derivatives. From a safety perspective, 4,6-dimethyl-N-phenylpyrimidin-2-amine is classified under Aquatic Chronic 2 hazard category, requiring appropriate environmental protection measures during handling and disposal. The compound carries the GHS09 pictogram, indicating potential aquatic environmental hazards, and falls under ADR transport class 9 for miscellaneous dangerous goods. While no specific signal word is assigned, standard laboratory safety protocols should be observed when working with this material. The compound finds primary applications in pharmaceutical research as a building block for drug discovery programs, particularly in the development of kinase inhibitors and other bioactive molecules. It serves as a valuable intermediate in organic synthesis, enabling the construction of more complex heterocyclic frameworks. Additionally, this pyrimidine derivative is utilized in agrochemical research for developing new crop protection agents, sharing structural similarities with compounds like 4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline in terms of aromatic amino functionality. OYSI maintains reliable supply chains for 4,6-dimethyl-N-phenylpyrimidin-2-amine to support European research and industrial applications, ensuring consistent quality and regulatory compliance for our technical chemical portfolio.

Safety & Classification

Classification:

Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H411

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NamePyrimethanil (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 4,6-dimethyl-N-phenylpyrimidin-2-amine?

4,6-dimethyl-N-phenylpyrimidin-2-amine is an organic compound with the molecular formula C12H13N3 and CAS number 53112-28-0. This pyrimidine derivative features a phenyl group attached to the nitrogen at position 2 and methyl groups 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 compounds and is classified as hazardous 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 exhibits limited water solubility due to its hydrophobic phenyl and methyl substituents. The compound contains both basic nitrogen atoms in the pyrimidine ring and an amine function, influencing its chemical reactivity and solubility in polar and non-polar solvents.

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 synthesis and fine chemical manufacturing. Its pyrimidine structure makes it valuable for developing pharmaceutical compounds, particularly those targeting biological pathways involving pyrimidine derivatives. The compound may also serve as a building block in agrochemical synthesis and specialty chemical production, where its specific substitution pattern provides desired molecular properties for target applications.

How to handle 4,6-dimethyl-N-phenylpyrimidin-2-amine safely?

Safe handling of 4,6-dimethyl-N-phenylpyrimidin-2-amine requires standard laboratory safety practices including wearing appropriate personal protective equipment such as safety glasses, gloves, and lab coats. Work should be conducted in well-ventilated areas or under fume hoods to minimize exposure. Given its classification as Aquatic Chronic 2, prevent environmental release and avoid contact with water systems. Handle the material carefully to minimize dust formation and ensure proper containment during use.

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 incompatible materials. Keep containers tightly closed and protected from moisture and light to prevent degradation. Store away from sources of ignition and oxidizing agents. The storage area should be equipped with appropriate containment measures to prevent environmental release, considering its aquatic toxicity classification. Maintain proper inventory management and ensure containers are properly labeled.

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 eye contact, flush immediately with clean water for at least 15 minutes and seek medical attention. If inhaled, move the person to fresh air and monitor breathing. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for specific first aid measures.

How to dispose of 4,6-dimethyl-N-phenylpyrimidin-2-amine appropriately?

Disposal of 4,6-dimethyl-N-phenylpyrimidin-2-amine must comply with local, national, and international waste regulations. Due to its Aquatic Chronic 2 classification, prevent release to water systems and soil. Collect waste in appropriate containers and arrange disposal through licensed waste management companies specialized in chemical waste. Incineration at approved facilities may be suitable, but consult local authorities and waste management 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 under ADR Class 9 (Miscellaneous dangerous substances), Packing Group III. Transportation must comply with dangerous goods regulations including proper packaging, labeling with GHS09 environmental hazard pictogram, and documentation. Use UN-approved packaging suitable for Class 9 materials and ensure proper securing during transport. Carriers must be trained in dangerous goods handling and emergency procedures. Consult current ADR regulations for specific packaging and documentation requirements.

Is 4,6-dimethyl-N-phenylpyrimidin-2-amine subject to particular regulations?

4,6-dimethyl-N-phenylpyrimidin-2-amine is subject to standard chemical regulations including REACH registration requirements in Europe and CLP classification as Aquatic Chronic 2. It is not currently listed as a Substance of Very High Concern (SVHC). Users must comply with environmental protection laws due to its aquatic toxicity classification. Industrial users should ensure proper risk assessment, exposure scenarios, and downstream user notifications as required by REACH regulation.

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 technical chemicals and pharmaceutical intermediates. OYSI provides reliable supply chain management and technical support for this compound across European markets. As professional chemical distributors, they ensure proper handling, documentation, and regulatory compliance. Contact OYSI directly for availability, specifications, packaging options, and technical data sheets to support your specific application requirements.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.