4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine

C14H13N3

CAS110235-47-7
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
110235-47-7
UN Number
3077
Index Number
612-229-00-9
PubChem CID
86296

Physical-chemical properties

Molecular Formula
C14H13N3
Molar Mass
223.27 g/mol
IUPAC Name
4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine

Chemical Identifiers

InChI
InChI=1S/C14H13N3/c1-3-7-13-10-11(2)15-14(17-13)16-12-8-5-4-6-9-12/h4-6,8-10H,1-2H3,(H,15,16,17)
InChI Key
CIFWZNRJIBNXRE-UHFFFAOYSA-N

Overview

4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine (CAS 110235-47-7) is an organic pyrimidine derivative with alkyne functionality and aromatic amine characteristics. This specialized chemical compound belongs to the pyrimidine family, featuring a distinctive molecular structure that combines a methylated pyrimidine ring with a phenylamine substituent and a propynyl group. With the molecular formula C14H13N3 and a molecular weight of 223.27 g/mol, this compound exhibits unique chemical properties derived from its heterocyclic core and multiple functional groups. The presence of both aromatic and alkyne moieties makes it particularly valuable in synthetic organic chemistry applications. From a safety perspective, 4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine requires careful handling due to its classification as a Category 2 carcinogen and acute aquatic toxin. The compound carries GHS08 and GHS09 pictograms with a "Warning" signal word, indicating potential health hazards and environmental concerns. Its ADR Class 9 classification designates it as a miscellaneous dangerous substance requiring appropriate transport precautions. Industrial applications primarily focus on pharmaceutical intermediate synthesis and agrochemical development, where its pyrimidine structure serves as a building block for more complex molecules. The compound's reactivity profile makes it suitable for various chemical transformations in medicinal chemistry research. Similar compounds in this chemical family include triazine derivatives such as 6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine, which share comparable heterocyclic frameworks and find applications in related synthetic pathways. OYSI maintains reliable supply chains for this specialized pyrimidine derivative, ensuring consistent availability for research institutions and industrial customers across Europe.

Safety & Classification

Warning
Classification:

Carc. 2; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H351

Suspected of causing cancer.

H400

Very toxic to aquatic life.

H410

Very 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 NameMepanipyrim (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine?

4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine is an organic chemical compound with the molecular formula C14H13N3 and CAS number 110235-47-7. This pyrimidine derivative has a molecular weight of 223.27 g/mol and features a complex structure containing pyrimidine, phenyl, and propynyl functional groups. It is classified as a potential carcinogen (Category 2) and poses environmental hazards to aquatic life, requiring careful handling and regulatory compliance.

What are the physicochemical properties of 4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine?

4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine is a solid organic compound at room temperature with a molecular weight of 223.27 g/mol. The compound contains aromatic rings and nitrogen heteroatoms, suggesting limited water solubility but good solubility in organic solvents. Its pyrimidine-based structure with phenyl and alkyne substituents contributes to its stability under normal conditions. Specific physical properties like melting point, boiling point, and exact solubility data would require analytical characterization.

What is 4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine used for?

4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine is primarily used as a research chemical and pharmaceutical intermediate in organic synthesis. Its pyrimidine structure makes it valuable for developing pharmaceutical compounds, particularly in medicinal chemistry research. The compound may also serve as a building block for agrochemicals or specialty chemicals. Given its hazard classification, applications are typically limited to professional and industrial settings with appropriate safety controls and regulatory oversight.

How to handle 4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine safely?

4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine requires careful handling due to its suspected carcinogenic properties. Use appropriate personal protective equipment including nitrile gloves, safety goggles, and lab coats. Work in well-ventilated areas or under fume hoods to prevent inhalation. Avoid skin contact, ingestion, and dust generation. Implement strict hygiene measures including hand washing after handling. Follow your organization's chemical safety protocols and ensure all personnel are trained on the specific hazards associated with this Category 2 carcinogen.

How to store 4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine correctly?

4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine should be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers tightly closed and properly labeled with hazard warnings. Store in a designated area for carcinogenic substances with restricted access. Maintain storage temperature below 25°C and protect from moisture and light. Ensure storage areas have appropriate spill containment measures and are separate from food, feed, and oxidizing agents to prevent contamination or hazardous reactions.

What to do in case of contact with 4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine?

Immediate action is required upon contact with 4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. If inhaled, move to fresh air immediately. For eye contact, flush with clean water for 15 minutes while holding eyelids open. If ingested, do not induce vomiting and rinse mouth with water. Seek immediate medical attention in all cases and provide the safety data sheet to medical personnel.

How to dispose of 4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine appropriately?

4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine must be disposed of as hazardous waste due to its carcinogenic and environmental hazard classifications. Never dispose of in regular waste streams, drains, or the environment. Contact a licensed hazardous waste disposal company for proper treatment and disposal. Maintain detailed waste tracking records as required by local regulations. Empty containers should also be treated as hazardous waste. Follow all applicable national, regional, and local environmental regulations for hazardous chemical disposal.

How to transport 4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine?

4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation. This classification requires appropriate packaging, labeling, and documentation for road transport. Packages must bear proper shipping names, UN numbers, and hazard labels. Transport vehicles should carry appropriate emergency equipment and drivers must have ADR training. Ensure packages are secure, properly sealed, and accompanied by transport documents including safety data sheets and emergency response information.

Is 4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine subject to specific regulations?

4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine is subject to multiple regulatory frameworks including REACH registration requirements for import/manufacture in the EU and CLP classification for hazard communication. As a suspected carcinogen, it requires special workplace safety measures and may be subject to occupational exposure limits. While not currently listed as an SVHC, its hazard profile means it could face future regulatory restrictions. Companies must maintain safety data sheets, implement risk management measures, and comply with chemical inventory reporting requirements.

Where to buy 4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine in Europe?

4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this research chemical to qualified industrial and academic customers across Europe with full regulatory compliance and proper documentation. As a controlled substance due to its hazard classification, purchases require verification of legitimate use and appropriate safety capabilities. Contact OYSI directly for availability, specifications, and regulatory documentation to ensure compliant procurement for your research or industrial applications.

Data Sources

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