Bis(4-cyclohexylbutanoate);nickel(2+)
C20H34NiO4
bis(4-cyclohexylbutanoate);nickel(2+)
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Identification
- CAS Number
- 3906-55-6
- EC Number
- 223-463-2
- UN Number
- 3077
- Index Number
- 028-025-00-2
- PubChem CID
- 77985
Physical-chemical properties
- Molecular Formula
- C20H34NiO4
- Molar Mass
- 397.20 g/mol
- IUPAC Name
- bis(4-cyclohexylbutanoate);nickel(2+)
Chemical Identifiers
- InChI
- InChI=1S/2C10H18O2.Ni/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*9H,1-8H2,(H,11,12);/q;;+2/p-2
- InChI Key
- LSLSVVJPMABPLC-UHFFFAOYSA-L
Overview
Bis(4-cyclohexylbutanoate);nickel(2+) (CAS 3906-55-6) is an organometallic nickel compound with significant toxicological properties requiring careful handling protocols. This nickel-based organometallic compound represents a specialized chemical intermediate characterized by its complex molecular structure featuring two 4-cyclohexylbutanoate ligands coordinated to a central nickel(II) ion. With a molecular formula of C20H34NiO4 and molecular weight of 397.2 g/mol, this substance belongs to the family of nickel carboxylates, sharing structural similarities with related compounds such as nickel(2+);bis(octadecanoate) and bis(2-hydroxypropanoic acid);nickel. The compound presents significant safety considerations due to its comprehensive hazard classification profile. It is classified as a Category 1A carcinogen, Category 2 mutagen, and Category 1B reproductive toxicant, reflecting the inherent toxicological risks associated with nickel-containing compounds. Additionally, it exhibits Category 1 specific target organ toxicity following repeated exposure and acts as both a respiratory and skin sensitizer. The substance also poses environmental concerns with acute and chronic aquatic toxicity classifications, necessitating proper containment and disposal protocols. Industrial applications typically involve its use as a catalyst precursor in organic synthesis reactions, particularly in polymerization processes where controlled nickel release is required. The compound also finds application in specialized coating formulations and as an intermediate in the production of other nickel-containing materials. Its unique structure makes it valuable in research applications exploring organometallic chemistry and catalysis. Like other nickel coordination compounds including diiodonickel, this material requires specialized handling expertise and appropriate safety infrastructure. OYSI provides this technical-grade chemical compound to qualified industrial customers with comprehensive safety documentation and regulatory compliance support.
Safety & Classification
Carc. 1A; Muta. 2; Repr. 1B; STOT RE 1; Resp. Sens. 1; Skin Sens. 1; Aquatic Acute 1; Aquatic Chr...
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
Suspected of causing genetic defects.
Causes damage to organs through prolonged or repeated exposure.
May cause allergy or asthma symptoms or breathing difficulties if inhaled.
May cause an allergic skin reaction.
Very toxic to aquatic life.
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
Inhalation
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
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:
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 Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Nickel(II)-bis(4-cyclohexylbutanoat) |
| Marine Pollutant | No |
Frequently Asked Questions
What is bis(4-cyclohexylbutanoate);nickel(2+)?
Bis(4-cyclohexylbutanoate);nickel(2+) is an organometallic nickel compound with the molecular formula C20H34NiO4 and CAS number 3906-55-6. This nickel salt consists of a nickel(2+) ion coordinated with two 4-cyclohexylbutanoate ligands, resulting in a molecular weight of 397.2 g/mol. It belongs to the class of nickel carboxylates and is classified as extremely hazardous due to its carcinogenic, mutagenic, and reproductive toxicity properties.
What are the physicochemical properties of bis(4-cyclohexylbutanoate);nickel(2+)?
Bis(4-cyclohexylbutanoate);nickel(2+) is a solid organometallic compound with a molecular weight of 397.2 g/mol and molecular formula C20H34NiO4. As a nickel carboxylate, it typically appears as a colored solid, likely green or blue-green, characteristic of nickel(II) compounds. The presence of long alkyl chains with cyclohexyl groups suggests limited water solubility but potential solubility in organic solvents. Specific physical properties require consultation of detailed technical data sheets.
What is bis(4-cyclohexylbutanoate);nickel(2+) used for?
Bis(4-cyclohexylbutanoate);nickel(2+) is primarily used as a catalyst in industrial chemical processes, particularly in polymerization reactions and organic synthesis. Its applications include catalyzing polymerization of olefins, cross-linking reactions in polymer chemistry, and as a precursor for nickel-containing materials. Due to its severe health hazards, its use is restricted to specialized industrial applications with strict safety controls and is typically employed only by experienced professionals in controlled environments.
How to handle bis(4-cyclohexylbutanoate);nickel(2+) safely?
Bis(4-cyclohexylbutanoate);nickel(2+) must be handled with extreme caution due to its carcinogenic, mutagenic, and sensitizing properties. Essential protective equipment includes nitrile gloves, full-face respirator with appropriate filters, protective clothing, and eye protection. Work must be conducted in well-ventilated areas or under fume hoods to prevent inhalation. Avoid skin contact and ingestion completely. Regular health monitoring is required for workers exposed to this substance due to its severe toxicological profile.
How to store bis(4-cyclohexylbutanoate);nickel(2+) correctly?
Bis(4-cyclohexylbutanoate);nickel(2+) must be stored in a cool, dry, well-ventilated area away from incompatible materials such as strong acids, bases, and oxidizing agents. Keep containers tightly sealed and labeled according to GHS requirements with appropriate hazard pictogrammes (GHS08, GHS09). Storage areas should be restricted to authorized personnel only due to the substance's carcinogenic properties. Implement secondary containment measures to prevent environmental release and ensure compliance with local dangerous goods storage regulations.
What to do in case of contact with bis(4-cyclohexylbutanoate);nickel(2+)?
In case of skin contact with bis(4-cyclohexylbutanoate);nickel(2+), immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for 15 minutes while holding eyelids open. If inhaled, move the person to fresh air immediately. Seek immediate medical attention in all cases of exposure, informing medical personnel about the substance's carcinogenic and sensitizing properties. Do not induce vomiting if ingested.
How to dispose of bis(4-cyclohexylbutanoate);nickel(2+) appropriately?
Bis(4-cyclohexylbutanoate);nickel(2+) must be disposed of as hazardous waste through licensed waste management facilities specialized in heavy metal and carcinogenic substance disposal. Never dispose of this substance in regular waste streams, sewers, or soil due to its severe environmental and health hazards. Consult local environmental authorities for specific disposal requirements. Empty containers must also be treated as hazardous waste. Documentation of disposal is required for regulatory compliance and traceability.
How to transport bis(4-cyclohexylbutanoate);nickel(2+)?
Bis(4-cyclohexylbutanoate);nickel(2+) is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transportation purposes. It must be packaged in UN-approved containers with appropriate hazard labels and documentation. Transport vehicles must carry emergency response information and drivers require ADR certification. Due to its environmental hazards, special precautions are needed to prevent spillage during transport. All transport must comply with international dangerous goods regulations and local transportation authorities' requirements.
Is bis(4-cyclohexylbutanoate);nickel(2+) subject to specific regulations?
Bis(4-cyclohexylbutanoate);nickel(2+) is subject to strict regulations under REACH and CLP regulations due to its classification as carcinogenic (Category 1A), mutagenic (Category 2), and toxic for reproduction (Category 1B). Although not currently listed as an SVHC, its severe hazard profile requires comprehensive risk assessment and safety data sheets. Users must implement strict exposure control measures and may require authorization for certain uses. National occupational exposure limits and environmental discharge restrictions apply.
Where to buy bis(4-cyclohexylbutanoate);nickel(2+) in Europe?
Bis(4-cyclohexylbutanoate);nickel(2+) is available through OYSI, a specialized European distributor of technical chemicals with expertise in hazardous substances. As a highly regulated carcinogenic compound, purchase requires proper authorization, safety documentation, and compliance with local regulations. OYSI provides comprehensive technical support, safety data sheets, and regulatory guidance for professional customers. Due to the substance's extreme hazards, sales are restricted to qualified industrial users with appropriate handling facilities and safety protocols in place.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.