3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride
C11H16Cl2N2O
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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 significant toxicological properties and specialized industrial applications. This bicyclic pyrimidine derivative represents a complex molecular structure featuring both pyrido and pyrimidin rings in a fused configuration, with a chloroethyl substituent that contributes to its chemical reactivity. The hydrochloride salt form enhances the compound's stability and handling characteristics, making it more suitable for industrial applications. With a molecular formula of C11H16Cl2N2O and molecular weight of 263.16 g/mol, this substance exhibits properties typical of alkylating agents due to its chloroethyl functional group. The compound carries significant safety considerations, classified under multiple hazard categories including acute toxicity (Category 3), eye damage (Category 1), and skin sensitization (Category 1). The presence of GHS06, GHS08, GHS05, and GHS09 pictograms indicates serious health hazards, long-term organ damage potential, and environmental concerns. Transportation falls under ADR Class 6.1, requiring specialized handling protocols for toxic substances. Industrial applications primarily focus on pharmaceutical intermediates and specialized chemical synthesis, where its unique bicyclic structure serves as a building block for more complex molecules. The compound shares certain alkylating characteristics with related substances like 2-chloroacetaldehyde, though its fused ring system provides distinct reactivity patterns. Research and development sectors utilize this compound in medicinal chemistry programs, particularly where pyrimidine derivatives are required. OYSI maintains availability of this specialized compound for qualified industrial customers requiring high-purity chemical intermediates for research and manufacturing applications.
Safety & Classification
Acute Tox. 3 *; STOT SE 2; STOT RE 2 *; Eye Dam. 1; Skin Sens. 1; Aquatic Chronic 2
GHS Pictograms
Skull and Crossbones
GHS06
Acute toxicity. Fatal if swallowed, in contact with skin, or if inhaled.
Health Hazard
GHS08
Serious health hazard. May cause cancer, organ damage, or genetic defects.
Corrosion
GHS05
Corrosive. Causes severe skin burns and eye damage.
Environment
GHS09
Environmental hazard. Toxic to aquatic life with long lasting effects.
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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
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
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
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 Number | 2811 |
| ADR Class | 6.1 |
| Packing Group | III |
| Tunnel Code | E |
| Proper Shipping Name | 3-(2-Chlorethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-on-monohydrochlorid |
| Marine Pollutant | No |
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 pyridopyrimidinone core structure with a chloroethyl substituent and exists as a hydrochloride salt. With a molecular weight of 263.16 g/mol, it is classified as a hazardous substance requiring careful handling due to its toxicological properties.
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 solid crystalline material at room temperature due to its hydrochloride salt form. As a chlorinated heterocyclic compound with both polar and nonpolar regions, it likely exhibits moderate solubility in polar solvents such as water and alcohols. The presence of the hydrochloride salt enhances water solubility compared to the free base. Specific physical parameters such as melting point, density, and exact solubility data would require analytical determination.
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 in pharmaceutical research and development as an intermediate or building block in organic synthesis. Its unique pyridopyrimidinone structure makes it valuable for medicinal chemistry applications, particularly in the development of bioactive molecules. The chloroethyl functionality provides a reactive site for further chemical modifications. It may also serve as a reference standard in analytical laboratories or as a starting material for the synthesis of more complex pharmaceutical compounds.
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 Tox. 3, Eye Dam. 1, and Skin Sens. 1 classifications. Work must be conducted in a well-ventilated area or under fume hood to prevent inhalation exposure. Avoid direct skin and eye contact, and prevent dust formation. Use appropriate engineering controls and ensure emergency eyewash and shower facilities are readily accessible.
How to store 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride correctly?
The compound should be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers tightly sealed to prevent moisture absorption and contamination. Store in a designated chemical storage area with appropriate secondary containment. Given its hazard classification, ensure storage complies with local regulations for toxic substances and maintain proper inventory records. Segregate from food, feed, and potable water supplies.
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 action is critical due to the Eye Dam. 1 classification. For eye contact, rinse immediately with copious amounts of water for at least 15 minutes and seek medical attention urgently. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for complete first aid procedures.
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 EU waste regulations as this compound is classified as hazardous waste. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Do not discharge to sewers, waterways, or soil due to its Aquatic Chronic 2 classification. Incineration at authorized high-temperature facilities may be appropriate. Maintain waste manifests and disposal documentation as required by regulations. Empty containers may also require special disposal procedures.
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. Packages must bear appropriate UN identification numbers, proper shipping names, and hazard labels including the toxic symbol. Use UN-specification packaging suitable for Class 6.1 materials. Transport documents must include emergency response information and contact details. Drivers require ADR training certification, and vehicles must carry appropriate safety equipment. Segregation rules apply to prevent incompatible cargo mixing.
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 EU REACH regulation requiring registration for manufacture or import above one tonne annually. CLP classification mandates specific labeling with GHS pictograms (GHS06, GHS08, GHS05, GHS09) and 'Danger' signal word. It is not currently listed as a SVHC under REACH. Transport regulations under ADR apply for shipments. Additional restrictions may apply under national chemical control laws or for specific uses such as biocides or pharmaceuticals.
Where to buy 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride in Europe?
OYSI serves as a reliable European distributor for this specialized chemical compound, offering comprehensive supply chain solutions across Europe. As an established chemical distributor, OYSI provides quality assurance, regulatory compliance support, and technical expertise for pharmaceutical intermediates and research chemicals. Contact OYSI directly for availability, specifications, and delivery options. Our European network ensures efficient logistics and regulatory compliance for hazardous materials transport and handling requirements.
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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.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.