2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone;hydrochloride

C13H17ClN2O3

CAS70918-74-0
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
70918-74-0
EC Number
415-660-9
UN Number
2811
Index Number
616-090-00-5
PubChem CID
2822434

Physical-chemical properties

Molecular Formula
C13H17ClN2O3
Molar Mass
284.74 g/mol
IUPAC Name
2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone;hydrochloride

Chemical Identifiers

InChI
InChI=1S/C13H16N2O3.ClH/c16-13(15-7-5-14-6-8-15)12-9-17-10-3-1-2-4-11(10)18-12;/h1-4,12,14H,5-9H2;1H
InChI Key
TUKBWYXLYINULI-UHFFFAOYSA-N

Overview

2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone;hydrochloride (CAS 70918-74-0) is an organic compound featuring a benzodioxane ring system coupled with a piperazine moiety through an amide linkage. This chemical compound, with the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol, represents a complex heterocyclic structure combining the stability of benzodioxane with the versatility of piperazine derivatives. The hydrochloride salt form enhances the compound's water solubility and handling characteristics, making it suitable for various industrial applications. Its unique structural features position it within the broader family of nitrogen-containing heterocycles, which includes related compounds such as N,N-diethylaniline and other substituted aniline derivatives. From a safety perspective, this substance requires careful handling due to its classification under multiple acute toxicity categories (Acute Tox. 3) and potential for specific target organ toxicity following repeated exposure (STOT RE 2). The compound carries GHS pictograms GHS06, GHS08, and GHS09, indicating acute toxicity, health hazard, and environmental hazard properties respectively. Its ADR classification as Class 6.1 substances further emphasizes the need for appropriate safety protocols during transport and storage. Industrial applications typically involve its use as an intermediate in pharmaceutical synthesis, particularly in the development of compounds targeting central nervous system receptors. The piperazine moiety is commonly found in various therapeutic agents, while the benzodioxane structure provides specific binding characteristics. Additionally, this compound serves as a building block in specialty chemical manufacturing and research applications requiring precise molecular architecture. OYSI provides this technical-grade chemical compound to qualified industrial customers across Europe, supporting pharmaceutical research and specialty chemical manufacturing operations.

Safety & Classification

Danger
Classification:

Acute Tox. 3 *; Acute Tox. 3 *; Acute Tox. 3 *; STOT RE 2 *; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H331

Toxic if inhaled.

H311

Toxic in contact with skin.

H301

Toxic if swallowed.

H373

May cause damage to organs through prolonged or repeated exposure.

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

Inhalation

Toxic

Measures if vapours or dust are inhaled

First Aid Actions

  • +P304IF INHALED:
  • +P340Remove person to fresh air and keep comfortable for breathing.
  • +P311Call a POISON CENTER/doctor.

Related hazard statements:

Skin Contact

Toxic

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 Name1-(1,4-Benzodioxan-2-ylcarbonyl)piperazin-hydrochlorid
Marine PollutantNo

Frequently Asked Questions

What is 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone;hydrochloride?

2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone;hydrochloride is an organic compound with CAS number 70918-74-0 and molecular formula C13H17ClN2O3. This substance has a molecular weight of 284.74 g/mol and contains both benzodioxin and piperazine structural moieties in its hydrochloride salt form. It belongs to the class of heterocyclic compounds and presents significant toxicological hazards requiring careful handling procedures.

What are the physicochemical properties of 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone;hydrochloride?

The compound is a solid crystalline material at room temperature with a molecular weight of 284.74 g/mol. As a hydrochloride salt, it typically exhibits good water solubility and hygroscopic properties. The substance contains nitrogen and oxygen heteroatoms within its benzodioxin and piperazine ring systems, contributing to its polar characteristics. Specific physical properties such as melting point and exact solubility data should be verified through analytical certificates.

What is 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone;hydrochloride used for?

This compound is primarily used as a research chemical and pharmaceutical intermediate in drug development processes. Its benzodioxin-piperazine structure makes it valuable for medicinal chemistry applications, particularly in the synthesis of potential therapeutic agents. It serves as a building block for more complex pharmaceutical molecules and is utilized in academic and industrial research laboratories for structure-activity relationship studies and chemical synthesis projects.

How to handle 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone;hydrochloride safely?

Safe handling requires wearing appropriate personal protective equipment including nitrile gloves, safety goggles, and laboratory coats due to its Acute Tox. 3 classification. Work must be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid skin and eye contact, and ensure no eating, drinking, or smoking in work areas. Emergency eyewash stations and safety showers should be readily accessible during handling operations.

How to store 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone;hydrochloride correctly?

The compound should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from incompatible materials. Keep containers protected from light and moisture due to the hydrochloride salt form's potential hygroscopic nature. Storage areas must be equipped with appropriate safety measures including spill control materials and restricted access. Maintain storage temperatures according to manufacturer specifications and regularly inspect containers for integrity.

What to do in case of contact with 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone;hydrochloride?

Immediate decontamination is essential following any exposure incident. For skin contact, remove contaminated clothing and wash affected areas 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 the person to fresh air immediately. Seek medical attention promptly for all exposure incidents, especially given the substance's acute toxicity classification.

How to dispose of 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone;hydrochloride properly?

Disposal must comply with local, national, and EU waste regulations due to its hazardous classification. The substance requires treatment as hazardous chemical waste and cannot be disposed of through normal laboratory drains or municipal waste systems. Contact licensed hazardous waste disposal companies for proper collection and treatment. Maintain detailed waste disposal records and ensure containers are properly labeled with waste codes and hazard information before disposal.

How to transport 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone;hydrochloride?

Transportation falls under ADR Class 6.1 (Toxic substances), Packing Group III regulations. Packages must bear appropriate UN hazard labels and markings according to dangerous goods transport requirements. Use approved packaging specifications for Class 6.1 materials and ensure proper documentation including transport documents and emergency response information. Only trained personnel should handle transportation arrangements, and carriers must be certified for dangerous goods transport.

Is 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone;hydrochloride subject to specific regulations?

The substance is subject to EU REACH registration requirements and CLP classification regulations showing GHS06, GHS08, and GHS09 pictograms with 'Danger' signal word. It is not currently listed as a Substance of Very High Concern (SVHC). Compliance with occupational exposure limits, waste management directives, and transport regulations is mandatory. Users must maintain safety data sheets and ensure proper risk assessments are conducted before use.

Where to buy 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone;hydrochloride in Europe?

OYSI is a reliable European distributor offering this specialized chemical compound to qualified industrial and research customers. As an established chemical distributor, OYSI ensures regulatory compliance and proper documentation for hazardous substances. Contact OYSI directly for availability, specifications, and ordering information. All purchases require proper end-use documentation and compliance with applicable regulations governing the distribution of toxic substances within the European market.

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2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone;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.