3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride

C11H16Cl2N2O

CAS93076-03-0
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
93076-03-0
EC Number
424-530-0
UN Number
2811
Index Number
613-275-00-2
PubChem CID
15605782

Physical-chemical properties

Molecular Formula
C11H16Cl2N2O
Molar Mass
263.16 g/mol
IUPAC Name
3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride

Chemical Identifiers

InChI
InChI=1S/C11H15ClN2O.ClH/c1-8-9(5-6-12)11(15)14-7-3-2-4-10(14)13-8;/h2-7H2,1H3;1H
InChI Key
OPYLAGAQMHMBNY-UHFFFAOYSA-N

Overview

3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one hydrochloride (CAS 93076-03-0) is a heterocyclic organic compound with chloroalkyl functionality and significant toxicological properties. This specialized chemical compound belongs to the pyridopyrimidine family, characterized by its fused bicyclic structure containing both pyridine and pyrimidine rings. With a molecular formula of C11H16Cl2N2O and molecular weight of 263.16 g/mol, this hydrochloride salt demonstrates enhanced stability and solubility compared to its free base form. The presence of the 2-chloroethyl substituent classifies it among alkylating agents, sharing certain structural similarities with other chlorinated compounds such as 2-chloroacetaldehyde in terms of reactive chloroalkyl functionality. The compound presents significant safety considerations, classified under multiple hazard categories including acute toxicity (Acute Tox. 3), specific target organ toxicity (STOT SE 2 and STOT RE 2), severe eye damage (Eye Dam. 1), and skin sensitization (Skin Sens. 1). These classifications necessitate careful handling protocols and appropriate personal protective equipment. The ADR classification 6.1 indicates its status as a toxic substance requiring specialized transport conditions. Industrial applications primarily focus on pharmaceutical intermediate synthesis and specialized chemical research. The compound serves as a valuable building block in medicinal chemistry for developing novel therapeutic agents, particularly in oncology research where alkylating properties are relevant. Additionally, it functions as a synthetic intermediate in the production of more complex heterocyclic compounds for pharmaceutical and agrochemical applications. OYSI maintains reliable supply chains for this specialized compound, ensuring consistent availability for European industrial customers requiring high-purity chemical intermediates.

Safety & Classification

Danger
Classification:

Acute Tox. 3 *; STOT SE 2; STOT RE 2 *; Eye Dam. 1; Skin Sens. 1; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H301

Toxic if swallowed.

H371

May cause damage to organs.

H373

May cause damage to organs through prolonged or repeated exposure.

H318

Causes serious eye damage.

H317

May cause an allergic skin reaction.

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

Skin Contact

Irritant

Measures if substance contacts the skin

First Aid Actions

  • +P302IF ON SKIN:
  • +P352Wash with plenty of water.
  • +P361Take off immediately all contaminated clothing.
  • +P313Get medical advice/attention.

Related hazard statements:

Eye Contact

Harmful

Measures if substance gets into the eyes

First Aid Actions

  • +P305IF IN EYES:
  • +P351Rinse cautiously with water for several minutes.
  • +P338Remove contact lenses, if present and easy to do. Continue rinsing.
  • +P313Get medical advice/attention.

Related hazard statements:

Ingestion

Toxic

Measures if substance is accidentally swallowed

First Aid Actions

  • +P301IF SWALLOWED:
  • +P330Rinse mouth.
  • +P331Do NOT induce vomiting.
  • +P310Immediately call a POISON CENTER/doctor.

Related hazard statements:

General Measures

Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)

First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.

Transport (ADR)

UN Number2811
ADR Class6.1
Packing GroupIII
Tunnel CodeE
Proper Shipping Name3-(2-Chlorethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-on-monohydrochlorid
Marine PollutantNo

Frequently Asked Questions

What is 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride?

3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride is a synthetic organic compound with the molecular formula C11H16Cl2N2O and CAS number 93076-03-0. This heterocyclic compound features a fused pyrido-pyrimidinone ring system with a chloroethyl substituent. With a molecular weight of 263.16 g/mol, it is classified as a hazardous substance requiring careful handling due to its toxicological properties and environmental impact potential.

What are the physicochemical properties of 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride?

The compound is a hydrochloride salt form of the parent molecule, typically appearing as a crystalline solid at room temperature. As a hydrochloride salt, it generally exhibits improved water solubility compared to the free base. The presence of chlorine atoms and nitrogen-containing heterocycles contributes to its chemical reactivity. Specific physical properties such as melting point, exact color, and odor characteristics should be confirmed through analytical testing or supplier documentation.

What is 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride used for?

This compound is primarily used as a research chemical and pharmaceutical intermediate in laboratory settings. Its structural features make it valuable for medicinal chemistry research, particularly in drug discovery programs targeting specific biological pathways. The compound may serve as a building block for synthesizing more complex molecules or as a reference standard in analytical applications. Its use is typically restricted to professional research environments due to its hazardous classification.

How to handle 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride safely?

Safe handling requires comprehensive personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing due to its Acute Toxicity 3, Eye Damage 1, and Skin Sensitization 1 classifications. Work must be conducted in well-ventilated areas or under fume extraction systems. Avoid skin and eye contact, inhalation, and ingestion. Use appropriate dispensing tools to minimize direct contact. Emergency wash facilities should be readily accessible, and personnel should be trained in proper handling procedures before use.

How to store 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride properly?

Proper storage requires a cool, dry, well-ventilated area away from direct sunlight and heat sources. The substance should be kept in tightly sealed, chemically compatible containers to prevent moisture absorption and contamination. Store separately from incompatible materials such as strong oxidizing agents and bases. Access should be restricted to authorized personnel only. Storage areas must be equipped with appropriate spill containment measures and maintained according to local chemical storage regulations.

What to do in case of contact with 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride?

Immediate first aid measures include removing contaminated clothing and flushing affected skin areas with copious amounts of water for at least 15 minutes. For eye contact, irrigate with clean water for at least 15 minutes while holding eyelids open. If inhaled, move the person to fresh air immediately. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult a physician after any exposure incident and provide the safety data sheet to medical personnel.

How to dispose of 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride appropriately?

Disposal must comply with local, national, and international hazardous waste regulations due to its toxic and environmentally hazardous classifications. The substance cannot be disposed of through regular waste streams and requires specialized hazardous waste treatment. Contact licensed waste disposal companies experienced in handling toxic chemical waste. Containers must be properly labeled and documented according to waste tracking requirements. Never pour down drains or release into the environment due to its Aquatic Chronic 2 classification.

How to transport 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride?

Transportation is regulated under ADR Class 6.1 (Toxic substances), Packing Group III, requiring compliant packaging, labeling, and documentation. Packages must bear appropriate hazard labels including GHS06, GHS08, GHS05, and GHS09 pictograms with 'Danger' signal word. Transport vehicles must carry appropriate emergency equipment and personnel must be trained in hazardous materials handling. Shipping documentation must include proper shipping names, hazard classifications, and emergency contact information according to dangerous goods regulations.

Is 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride subject to specific regulations?

The compound is subject to multiple European regulations including REACH registration requirements for commercial use and CLP regulation for classification, labeling, and packaging. While not currently listed as a Substance of Very High Concern (SVHC), its hazardous classification requires compliance with occupational health and safety regulations. Users must maintain safety data sheets, implement risk management measures, and report usage according to regulatory requirements. Import/export may require additional permits depending on jurisdiction and intended use.

Where to buy 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride in Europe?

OYSI is a reliable European distributor offering this specialized chemical compound to qualified research institutions and industrial customers. As an established chemical distributor, OYSI provides proper documentation including certificates of analysis, safety data sheets, and regulatory compliance information. The company serves customers across Europe with appropriate handling and shipping procedures for hazardous materials. Contact OYSI directly to discuss availability, packaging options, and delivery arrangements for your specific research or industrial requirements.

Services for 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride

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3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride is a dangerous good. We support you with labeling, packaging, and transport documentation.

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Data Sources

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