Disodium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate

C8H8Na2O5

disodium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate

CAS129-67-9
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
Danger

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Identification

CAS Number
129-67-9
EC Number
204-959-8
UN Number
2588
Index Number
607-055-00-5
PubChem CID
44318676

Physical-chemical properties

Molecular Formula
C8H8Na2O5
Molar Mass
230.13 g/mol
IUPAC Name
disodium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate

Chemical Identifiers

InChI
InChI=1S/C8H10O5.2Na/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12;;/h3-6H,1-2H2,(H,9,10)(H,11,12);;/q;2*+1/p-2/t3-,4+,5-,6+;;
InChI Key
XRHVZWWRFMCBAZ-PXYBLNDHSA-L

Overview

Disodium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate (CAS 129-67-9) is a bicyclic organic sodium salt featuring a rigid oxabicycloheptane structure with dual carboxylate functionality. This specialized chemical compound, also identified by EC number 204-959-8, represents a unique class of bicyclic dicarboxylate salts with a molecular formula of C8H8Na2O5 and molecular weight of 230.13 g/mol. The compound's distinctive 7-oxabicyclo[2.2.1]heptane backbone provides structural rigidity and specific stereochemical properties that make it valuable in various industrial applications. Its stereochemical configuration (1S,2R,3S,4R) contributes to its unique chemical behavior and reactivity profile. From a safety perspective, this substance requires careful handling protocols due to its classification under multiple hazard categories. It exhibits acute toxicity properties (Acute Tox. 4 and Acute Tox. 3), skin and eye irritation potential (Skin Irrit. 2, Eye Irrit. 2), and specific target organ toxicity (STOT SE 3). The compound carries the "Danger" signal word and is classified under ADR transport class 6.1, necessitating appropriate safety measures during storage, handling, and transportation. The GHS06 pictogram indicates its toxic properties, requiring proper personal protective equipment and ventilation systems. Industrial applications of this bicyclic dicarboxylate salt include use as a chemical intermediate in pharmaceutical synthesis, specialty polymer production, and advanced materials manufacturing. Unlike simpler aromatic compounds such as chloromethylbenzene or N-methylaniline, this bicyclic structure offers unique spatial arrangements that are particularly valuable in stereoselective synthesis processes and the development of specialized catalytic systems. OYSI maintains reliable supply chains for this technical-grade chemical compound, ensuring consistent availability for qualified industrial customers throughout Europe.

Safety & Classification

Danger
Classification:

Acute Tox. 4 *; Acute Tox. 3 *; STOT SE 3; Skin Irrit. 2; Eye Irrit. 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H312

Harmful in contact with skin.

H301

Toxic if swallowed.

H335

May cause respiratory irritation.

H315

Causes skin irritation.

H319

Causes serious eye irritation.

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

Irritant

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

Harmful

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

Irritant

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 Number2588
ADR Class6.1
Packing GroupII
Tunnel CodeD/E
Proper Shipping NameEndothal-Natrium (ISO)
Marine PollutantNo

Frequently Asked Questions

What is disodium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate?

Disodium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate is an organic sodium salt with the molecular formula C8H8Na2O5 and CAS number 129-67-9. This bicyclic compound has a molecular weight of 230.13 g/mol and features a characteristic oxabicycloheptane structure with two carboxylate groups. It is classified as a hazardous substance with multiple health risks including acute toxicity and irritant properties.

What are the physicochemical properties of disodium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate?

Disodium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate is a solid organic sodium salt at room temperature. As a disodium salt, it typically exhibits good water solubility due to its ionic nature. The compound contains a rigid bicyclic structure with an oxygen bridge and two carboxylate functional groups, which influence its chemical reactivity and physical properties. Specific data on color, odor, and exact solubility parameters should be confirmed from safety data sheets.

What is disodium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate used for?

Disodium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate serves as an intermediate in organic synthesis and pharmaceutical manufacturing. Its bicyclic structure makes it valuable for producing specialized chemical compounds and active pharmaceutical ingredients. The compound may also be used in research applications for developing new materials or as a building block in fine chemical synthesis. Industrial applications typically involve controlled environments due to its hazardous classification.

How to safely handle disodium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate?

Safe handling requires appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing due to its skin and eye irritant properties. Work in well-ventilated areas or under fume extraction systems to prevent inhalation exposure. Avoid direct skin contact and use proper handling techniques to minimize dust generation. Given its acute toxicity classification (Acute Tox. 3-4), implement strict hygiene measures and ensure personnel are trained in chemical safety protocols.

How to properly store disodium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate?

Proper storage requires keeping the compound in tightly sealed containers in a cool, dry, well-ventilated area away from incompatible materials. Store in designated chemical storage areas with appropriate secondary containment and clear hazard labeling. Maintain temperatures within recommended ranges and protect from moisture, which could affect the sodium salt's stability. Implement inventory controls and restrict access to authorized personnel only due to its toxic properties.

What to do in case of contact with disodium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate?

Immediate first aid involves removing contaminated clothing and rinsing affected skin or eyes with plenty of water for at least 15 minutes. If inhaled, move the person to fresh air and monitor breathing. Due to its acute toxicity and irritant properties, seek immediate medical attention for any significant exposure. Do not induce vomiting if ingested. Contact emergency services if symptoms develop or exposure is substantial. Always consult the safety data sheet for specific emergency procedures.

How to properly dispose of disodium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate?

Disposal must comply with local, national, and EU waste regulations for hazardous chemicals classified under ADR Class 6.1. Contact licensed hazardous waste disposal companies for collection and treatment. Do not dispose of in regular waste streams or pour down drains due to environmental and health risks. Maintain proper documentation of waste disposal activities and ensure containers are properly labeled. Consider waste minimization strategies and recovery options where technically feasible.

How to transport disodium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate?

Transportation requires compliance with ADR regulations as a Class 6.1 toxic substance, Packing Group II. Use approved packaging and labeling with appropriate hazard markings and UN identification numbers. Ensure proper documentation including transport documents and emergency response information. Drivers must hold valid ADR certification for toxic substances. Implement segregation requirements and avoid transport with incompatible materials. Follow quantity limitations and routing restrictions as specified by ADR regulations.

Is disodium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate subject to specific regulations?

The compound is subject to EU REACH registration requirements and CLP classification regulations due to its hazardous properties. It is not currently listed as a Substance of Very High Concern (SVHC), but users must comply with safety data sheet requirements and hazard communication standards. Industrial users must implement appropriate risk management measures and may need to register uses under REACH. Transport regulations under ADR also apply for commercial movement.

Where to buy disodium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate in Europe?

OYSI serves as a reliable European distributor for disodium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate, providing quality chemicals to industrial and research customers across Europe. As a specialized chemical distributor, OYSI ensures proper handling, packaging, and documentation compliance with EU regulations. Contact OYSI directly for availability, specifications, and pricing information. Professional customers can benefit from technical support and regulatory guidance for safe use and compliance requirements.

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Disodium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate 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.