(2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride

C10H21Cl2N

CAS63645-17-0
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
63645-17-0
EC Number
417-430-3
UN Number
2811
Index Number
613-209-00-2
PubChem CID
12923592

Physical-chemical properties

Molecular Formula
C10H21Cl2N
Molar Mass
226.18 g/mol
IUPAC Name
(2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride

Chemical Identifiers

InChI
InChI=1S/C10H20ClN.ClH/c1-9-5-3-6-10(2)12(9)8-4-7-11;/h9-10H,3-8H2,1-2H3;1H/t9-,10+;
InChI Key
CEEKMXMGOHQJAL-JMVWIVNTSA-N

Overview

(2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine hydrochloride (CAS 63645-17-0) is a stereoisomerically pure piperidine derivative with chloropropyl substitution and dual methyl positioning. This specialized organic compound represents a sophisticated example of heterocyclic chemistry, featuring a six-membered piperidine ring with precise stereochemical configuration. The molecule incorporates both (2S,6R) chirality and terminal chloroalkyl functionality, making it valuable for stereoselective synthetic applications. With a molecular formula of C10H21Cl2N and molecular weight of 226.18 g/mol, this compound exists as a hydrochloride salt, enhancing its stability and handling properties compared to the free base form. The compound's hazard classification requires careful attention to safety protocols. Classified as Acute Toxicity Category 3 with GHS06 and GHS08 pictograms, it presents significant health risks requiring appropriate personal protective equipment and ventilation systems. The STOT RE 2 classification indicates potential organ toxicity with repeated exposure, while Skin Sensitization Category 1 necessitates dermal contact prevention. Environmental considerations include Aquatic Chronic 2 classification, demanding proper waste management procedures. Industrial applications typically center on pharmaceutical intermediate synthesis, where the compound's stereochemical purity proves essential for developing chiral drug candidates. The chloroalkyl functionality enables further chemical modifications through nucleophilic substitution reactions. Research applications often involve structure-activity relationship studies, particularly in medicinal chemistry contexts. Unlike simpler aromatic amines such as N-methylaniline, this piperidine derivative offers unique three-dimensional molecular architecture suitable for complex synthetic transformations. Transportation falls under ADR Class 6.1, reflecting its toxic properties and requiring specialized logistics handling. OYSI maintains reliable supply chains for this specialized research compound, supporting pharmaceutical and fine chemical industries across Europe.

Safety & Classification

Danger
Classification:

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

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H301

Toxic if swallowed.

H373

May cause damage to organs through prolonged or repeated exposure.

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:

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 Namecis-1-(3-Chlorpropyl)-2,6-dimethylpiperidin-hydrochlorid, nicht ätzend
Marine PollutantNo

Frequently Asked Questions

What is (2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride?

(2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride is a synthetic organic compound with the molecular formula C10H21Cl2N and CAS number 63645-17-0. This piperidine derivative features a specific stereochemical configuration with chiral centers at positions 2 and 6. It has a molecular weight of 226.18 g/mol and exists as a hydrochloride salt, which typically enhances its stability and solubility compared to the free base form.

What are the physicochemical properties of (2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride?

(2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride is a solid compound at room temperature, typically appearing as a white to off-white crystalline powder. As a hydrochloride salt, it exhibits good water solubility, making it suitable for aqueous applications. The compound has a molecular weight of 226.18 g/mol and contains two chlorine atoms in its structure. Its piperidine core provides basic properties, while the salt form enhances stability and handling characteristics.

What is (2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride used for?

(2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride serves as an important intermediate in pharmaceutical synthesis and fine chemical manufacturing. Its specific stereochemical configuration makes it valuable for producing chiral pharmaceuticals where precise molecular geometry is crucial. The compound is typically used in research and development applications, particularly in medicinal chemistry for developing new therapeutic agents. Industrial applications include its role as a building block in multi-step synthetic processes.

How to handle (2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride safely?

(2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride requires careful handling due to its Acute Tox. 3 and Skin Sens. 1 classifications. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing. Work should be conducted in well-ventilated areas or under fume hoods to minimize inhalation exposure. Avoid skin contact and ingestion. Use appropriate respiratory protection when handling larger quantities. Ensure emergency eyewash and shower facilities are readily accessible in work areas.

How to store (2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride correctly?

(2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers in a secure location away from incompatible materials and ensure proper labeling with hazard information. Storage areas should be equipped with appropriate spill containment measures and restricted access. Regular inventory checks should be performed to monitor container integrity and expiration dates while maintaining proper documentation.

What to do in case of contact with (2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride?

Immediate action is required following contact with (2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride due to its toxic and sensitizing properties. For skin contact, immediately remove contaminated clothing and wash thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention, providing the safety data sheet to medical personnel.

How to dispose of (2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride properly?

(2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride must be disposed of through licensed hazardous waste disposal companies in accordance with local, national, and EU regulations. The compound cannot be disposed of in regular waste streams due to its toxic properties and environmental impact classification (Aquatic Chronic 2). Waste containers must be properly labeled and documented. Consider incineration at authorized facilities as an appropriate disposal method. Consult local environmental authorities for specific disposal requirements in your region.

How to transport (2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride?

(2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride is classified under ADR Class 6.1 (Toxic substances), Packing Group III for transportation purposes. Shipments must comply with dangerous goods regulations including proper packaging, labeling with GHS06, GHS08, and GHS09 pictograms, and documentation requirements. Packages must bear the appropriate UN number and shipping name. Only certified carriers trained in hazardous materials transport should handle shipments. Proper emergency response information must accompany all transport documentation.

Is (2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride subject to special regulations?

(2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride is subject to various European chemical regulations including REACH registration requirements and CLP classification obligations. The compound is not currently listed as a Substance of Very High Concern (SVHC). Suppliers must provide safety data sheets complying with EU regulations and ensure proper hazard classification as Acute Tox. 3, STOT RE 2, Skin Sens. 1, and Aquatic Chronic 2. Import/export may require additional documentation depending on quantities and end-use applications.

Where to buy (2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride in Europe?

(2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride is available through OYSI, a specialized European distributor of fine chemicals and pharmaceutical intermediates. OYSI provides high-quality chemical products with complete regulatory documentation and technical support across European markets. As experienced chemical distributors, they ensure compliance with all relevant European regulations including REACH and CLP requirements. Contact OYSI directly for availability, specifications, and pricing information for your specific research or industrial applications.

Services for (2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;hydrochloride

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(2S,6R)-1-(3-chloropropyl)-2,6-dimethylpiperidine;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.