(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate

C13H18O5S

CAS26225-79-6
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
26225-79-6
EC Number
247-525-3
UN Number
3077
Index Number
607-314-00-2
PubChem CID
33360

Physical-chemical properties

Molecular Formula
C13H18O5S
Molar Mass
286.35 g/mol
IUPAC Name
(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate

Chemical Identifiers

InChI
InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3
InChI Key
IRCMYGHHKLLGHV-UHFFFAOYSA-N

Overview

(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate (CAS 26225-79-6) is an organic methanesulfonate ester compound featuring a substituted benzofuran ring system with ethoxy and dimethyl substituents. This specialized chemical compound belongs to the benzofuran derivatives family and serves as an important intermediate in various industrial applications. With its molecular formula C13H18O5S and molecular weight of 286.35 g/mol, this methanesulfonate ester exhibits unique structural characteristics that make it valuable for specific chemical processes. The compound features a complex aromatic system with a benzofuran core, modified by ethoxy and dimethyl groups, which influences its reactivity and application profile. From a safety perspective, (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate is classified under ADR Class 9 miscellaneous dangerous goods and carries the GHS09 pictogram with a "Warning" signal word. The primary safety concerns relate to its aquatic toxicity, as indicated by its Aquatic Acute 1 and Aquatic Chronic 1 classifications. This environmental hazard profile requires careful handling and disposal protocols to prevent contamination of water systems. Industrial applications of this compound typically include its use as a chemical intermediate in pharmaceutical synthesis, specialty polymer production, and advanced materials manufacturing. The methanesulfonate functionality provides excellent leaving group properties, making it particularly useful in nucleophilic substitution reactions. Unlike simpler compounds such as copper(1+) thiocyanate, this benzofuran derivative offers more complex reactivity patterns suitable for sophisticated synthetic pathways. The compound finds applications in research and development laboratories as well as commercial manufacturing facilities requiring high-purity chemical intermediates. Its structural complexity allows for selective chemical transformations that are essential in modern organic synthesis. OYSI maintains reliable supply chains for this specialized chemical compound, ensuring consistent availability for European industrial customers requiring high-quality methanesulfonate derivatives.

Safety & Classification

Warning
Classification:

Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

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 NameEthofumesat (ISO)
Marine PollutantNo

Frequently Asked Questions

What is (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate?

(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate is an organic chemical compound with the molecular formula C13H18O5S and CAS number 26225-79-6. This benzofuran derivative has a molecular weight of 286.35 g/mol and contains both ethoxy and methanesulfonate functional groups. The compound is classified as hazardous to aquatic environments and requires careful handling according to GHS and ADR regulations for safe industrial use.

What are the physicochemical properties of (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate?

(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate is a synthetic organic compound with a molecular weight of 286.35 g/mol and formula C13H18O5S. The presence of ethoxy groups and methanesulfonate moiety influences its solubility characteristics. As a benzofuran derivative with multiple functional groups, it exhibits specific chemical reactivity patterns. Detailed physicochemical data should be obtained from safety data sheets for precise handling requirements.

What is (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate used for?

(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate serves as a specialized chemical intermediate in organic synthesis and pharmaceutical research. Its benzofuran structure makes it valuable for developing bioactive compounds and advanced materials. The methanesulfonate group provides good leaving group properties for nucleophilic substitution reactions. Industrial applications may include fine chemical manufacturing, research and development, and as a building block for more complex molecular structures.

How to handle (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate safely?

(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate requires careful handling due to its aquatic toxicity classification. Essential safety measures include wearing appropriate personal protective equipment such as chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid release to environmental waters due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications under GHS.

How to store (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate correctly?

(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate should be stored in tightly sealed containers in a cool, dry, and well-ventilated area away from incompatible materials. Keep containers away from heat sources, direct sunlight, and moisture. Storage areas must have appropriate containment measures to prevent environmental release due to its aquatic toxicity. Follow local regulations for chemical storage and maintain proper inventory records for regulatory compliance.

What to do in case of contact with (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate?

Immediate action is required upon contact with (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water. In case of eye contact, flush immediately with clean water for at least 15 minutes. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek medical attention. Always consult the safety data sheet for specific first aid measures.

How to dispose of (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate properly?

(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate must be disposed of through licensed hazardous waste disposal facilities due to its environmental hazard classification. Never dispose of this substance in regular waste streams or release it to water systems. Contact certified waste management companies specializing in chemical disposal. Follow local, national, and EU regulations including the Waste Framework Directive for proper classification, labeling, and documentation of hazardous waste disposal.

How to transport (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate?

(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate is classified as ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling, and documentation according to ADR regulations. Use UN-approved packaging and ensure proper placarding during transport. Shipping papers must include correct technical names, UN numbers, and hazard classifications. Transport vehicles must comply with ADR requirements for Class 9 substances.

Is (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate subject to specific regulations?

(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate is not listed as a Substance of Very High Concern (SVHC) under REACH regulation. However, it must comply with CLP classification requirements due to its aquatic toxicity (Aquatic Acute 1, Aquatic Chronic 1). Users must follow REACH registration requirements if handling quantities above specified thresholds. Additionally, environmental discharge restrictions apply due to its water hazard classification under various national and EU environmental protection regulations.

Where to buy (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate in Europe?

(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate is available through OYSI, a specialized European distributor of fine chemicals and industrial compounds. OYSI provides reliable supply chains for research institutions, pharmaceutical companies, and industrial manufacturers across Europe. As experienced chemical distributors, OYSI ensures proper handling, packaging, and regulatory compliance for this specialized benzofuran derivative. Contact OYSI directly for availability, specifications, and regulatory documentation requirements.

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(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate 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.