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 an organic sodium salt compound with bicyclic structure and dual carboxylate functionality. This specialized chemical compound, also known by its EC number 204-959-8, represents a unique bicyclic dicarboxylate salt with distinct stereochemical properties. The molecule features a 7-oxabicyclo[2.2.1]heptane core structure, commonly referred to as an oxanorbornane system, with two carboxylate groups positioned at the 2,3-positions in a specific stereochemical arrangement. With a molecular formula of C8H8Na2O5 and molecular weight of 230.13 g/mol, this compound demonstrates the complexity achievable in modern synthetic organic chemistry. From a safety perspective, this substance requires careful handling due to its classification under multiple hazard categories. It carries acute toxicity ratings of both Category 3 and 4, along with skin and eye irritation properties (Category 2), and specific target organ toxicity (STOT SE 3). The GHS06 pictogram and "Danger" signal word reflect its significant hazard profile, while its ADR Class 6.1 classification indicates toxic substance requirements for transportation. Unlike simpler aromatic compounds such as chloromethylbenzene or N-methylaniline, this bicyclic structure presents unique toxicological considerations due to its rigid geometry and ionic nature. The compound finds applications primarily in specialized chemical synthesis, serving as an intermediate in pharmaceutical development and as a research reagent in academic laboratories. Its unique stereochemistry makes it valuable for studying enantioselective reactions and as a chiral building block. Additionally, it may serve as a specialty additive in certain industrial formulations where its specific structural properties provide functional benefits. OYSI maintains availability of this specialized compound for qualified industrial and research customers across Europe, supporting applications requiring high-purity bicyclic carboxylate chemistry.

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 a chemical compound with CAS number 129-67-9 and molecular formula C8H8Na2O5. This bicyclic organic salt has a molecular weight of 230.13 g/mol and features a characteristic oxabicycloheptane ring structure with two carboxylate groups in disodium salt form. It is classified as a hazardous substance requiring appropriate safety measures during handling and storage.

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 compound at room temperature with molecular formula C8H8Na2O5 and molecular weight 230.13 g/mol. As a disodium salt of a dicarboxylic acid, it typically exhibits good water solubility due to its ionic nature. The compound contains a bridged bicyclic structure with an oxygen bridge and two carboxylate functional groups, contributing to its chemical reactivity and solubility characteristics.

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 is used in various industrial and research applications as a chemical intermediate or specialty reagent. Its unique bicyclic structure makes it valuable in organic synthesis, pharmaceutical research, and specialty chemical manufacturing. The compound may serve as a building block for more complex molecules or as a reagent in specific chemical processes requiring its particular structural features and reactivity profile.

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

Safe handling of disodium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate requires appropriate personal protective equipment due to its classification as Acute Tox. 4, Skin Irrit. 2, and Eye Irrit. 2. Use chemical-resistant gloves, safety goggles, and protective clothing to prevent skin and eye contact. Ensure adequate ventilation to avoid inhalation exposure. Handle in a controlled environment with proper engineering controls, and always follow established safety procedures for toxic substances.

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

Proper storage of disodium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate requires a cool, dry, well-ventilated area away from incompatible materials. Store in tightly closed original containers, protected from moisture and extreme temperatures. Given its toxicity classification, ensure storage in designated areas with restricted access and appropriate labeling. Keep away from sources of ignition and incompatible substances, and maintain proper inventory control with safety data sheets readily available.

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

In case of skin contact with disodium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate, immediately wash with plenty of water for at least 15 minutes and remove contaminated clothing. For eye contact, rinse thoroughly with water for at least 15 minutes. If inhaled, move to fresh air immediately. If ingested, do not induce vomiting and seek immediate medical attention. Always consult a physician if symptoms persist and provide the safety data sheet to medical personnel.

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

Disposal of disodium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate must comply with local, national, and international waste regulations due to its toxicity classification. Contact licensed waste disposal companies specialized in hazardous chemical waste. Never dispose of in regular waste streams, sewers, or water systems. Ensure proper documentation and tracking of waste disposal. Consider waste minimization strategies and potential recycling options where available and appropriate for this chemical substance.

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

Transportation of disodium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate follows ADR classification 6.1, Packing Group II, indicating toxic substances. Packages must be properly labeled with appropriate hazard labels and shipping documentation. Use approved packaging suitable for toxic substances and ensure compliance with dangerous goods regulations. Transport vehicles must carry appropriate emergency equipment and drivers should be trained in hazardous materials handling. Proper shipping papers and emergency response information are mandatory.

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

Disodium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate is subject to European REACH and CLP regulations due to its hazardous classification. It requires proper classification, labeling, and safety data sheets according to GHS standards. The substance is not currently listed as SVHC (Substance of Very High Concern). Companies must comply with registration requirements, maintain exposure scenarios, and implement appropriate risk management measures throughout the supply chain in accordance with European chemical legislation.

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

OYSI is a reliable European distributor offering disodium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate for professional and industrial applications. As a specialized chemical distributor, OYSI provides comprehensive technical support, proper documentation, and regulatory compliance assistance. Contact OYSI directly to discuss your specific requirements, quantities needed, and technical specifications. They can provide detailed quotations, safety data sheets, and guidance on handling this regulated chemical substance according to European standards.

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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.