(2,6-dibromo-4-cyanophenyl) heptanoate
C14H15Br2NO2
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Identification
- CAS Number
- 56634-95-8
- EC Number
- 260-300-4
- UN Number
- 2588
- Index Number
- 607-427-00-7
- PubChem CID
- 62119
Physical-chemical properties
- Molecular Formula
- C14H15Br2NO2
- Molar Mass
- 389.08 g/mol
- IUPAC Name
- (2,6-dibromo-4-cyanophenyl) heptanoate
Chemical Identifiers
- InChI
- InChI=1S/C14H15Br2NO2/c1-2-3-4-5-6-13(18)19-14-11(15)7-10(9-17)8-12(14)16/h7-8H,2-6H2,1H3
- InChI Key
- BHZWBQPHPLFZSV-UHFFFAOYSA-N
Overview
(2,6-dibromo-4-cyanophenyl) heptanoate (CAS 56634-95-8) is a brominated aromatic ester compound with significant industrial applications and notable safety considerations. This specialized chemical compound belongs to the family of halogenated phenyl esters, characterized by its unique molecular structure featuring two bromine atoms and a cyano group attached to a phenyl ring, combined with a heptanoate ester chain. With a molecular formula of C14H15Br2NO2 and molecular weight of 389.08 g/mol, this substance exhibits distinct chemical properties that make it valuable for specific industrial applications. The compound's safety profile requires careful handling due to its classification under multiple hazard categories. It is classified as Reproductive Toxicity Category 2, indicating potential reproductive effects, and Acute Toxicity Category 4 for multiple exposure routes. Additionally, it presents skin sensitization properties and poses significant aquatic environmental risks with both acute and chronic toxicity classifications. The presence of GHS08, GHS07, and GHS09 pictograms emphasizes the need for appropriate personal protective equipment and environmental precautions during handling and storage. (2,6-dibromo-4-cyanophenyl) heptanoate finds primary applications in pharmaceutical intermediates synthesis, specialty polymer production, and advanced materials manufacturing. Its brominated aromatic structure makes it particularly useful in flame retardant formulations and as a building block for more complex chemical syntheses. The compound shares certain structural characteristics with other industrial chemicals like 4-aminophenol, though its specific ester functionality provides unique reactivity patterns. The substance falls under ADR Class 6.1 for transportation, requiring specialized logistics considerations. OYSI maintains reliable supply chains for this technical chemical, ensuring consistent availability for European industrial customers requiring high-purity specialty compounds.
Safety & Classification
Repr. 2; Acute Tox. 4 *; Acute Tox. 4 *; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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:
Ingestion
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 Number | 2588 |
| ADR Class | 6.1 |
| Packing Group | III |
| Tunnel Code | E |
| Proper Shipping Name | Bromoxynilheptanoat (ISO), fest |
| Marine Pollutant | No |
Frequently Asked Questions
What is (2,6-dibromo-4-cyanophenyl) heptanoate?
(2,6-dibromo-4-cyanophenyl) heptanoate is an organic chemical compound with CAS number 56634-95-8 and molecular formula C14H15Br2NO2. This brominated aromatic ester has a molecular weight of 389.08 g/mol and contains both cyano and heptanoate functional groups. The compound is classified as hazardous with reproductive toxicity concerns and requires careful handling in professional environments.
What are the physicochemical properties of (2,6-dibromo-4-cyanophenyl) heptanoate?
(2,6-dibromo-4-cyanophenyl) heptanoate is a solid organic compound at room temperature with a molecular weight of 389.08 g/mol. As a brominated aromatic ester, it likely exhibits limited water solubility but good solubility in organic solvents. The presence of two bromine atoms and a cyano group significantly influences its physical properties and chemical reactivity.
What is (2,6-dibromo-4-cyanophenyl) heptanoate used for?
(2,6-dibromo-4-cyanophenyl) heptanoate is primarily used as a chemical intermediate in pharmaceutical and agrochemical synthesis. Its unique structure with bromine substituents and cyano functionality makes it valuable for developing specialized organic compounds. The compound may also serve as a building block in materials science applications requiring specific chemical modifications.
How to handle (2,6-dibromo-4-cyanophenyl) heptanoate safely?
(2,6-dibromo-4-cyanophenyl) heptanoate requires careful handling with appropriate personal protective equipment including gloves, safety goggles, and respiratory protection. Work should be conducted in well-ventilated areas or under fume hoods due to its acute toxicity and skin sensitization potential. Avoid skin contact and inhalation, and ensure proper training before handling this reproductive toxicant.
How to store (2,6-dibromo-4-cyanophenyl) heptanoate correctly?
(2,6-dibromo-4-cyanophenyl) heptanoate should be stored in a cool, dry place away from heat sources and incompatible materials. Keep containers tightly sealed to prevent moisture absorption and contamination. Store in secondary containment systems due to its environmental hazard classification and ensure proper labeling with GHS pictograms GHS07, GHS08, and GHS09.
What to do in case of contact with (2,6-dibromo-4-cyanophenyl) heptanoate?
Immediate action is required upon contact with (2,6-dibromo-4-cyanophenyl) heptanoate. 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 and seek medical attention if symptoms persist.
How to dispose of (2,6-dibromo-4-cyanophenyl) heptanoate appropriately?
(2,6-dibromo-4-cyanophenyl) heptanoate must be disposed of as hazardous waste through licensed waste management companies. Due to its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1), special precautions are required to prevent water contamination. Follow local and European waste regulations, and never dispose of this compound through regular waste streams or sewage systems.
How to transport (2,6-dibromo-4-cyanophenyl) heptanoate?
(2,6-dibromo-4-cyanophenyl) heptanoate is classified as ADR Class 6.1 (toxic substances), Packing Group III for transportation purposes. Proper packaging, labeling, and documentation are required according to dangerous goods regulations. Vehicles must carry appropriate emergency equipment and drivers need ADR certification. Ensure packages are properly marked with UN numbers and hazard labels.
Is (2,6-dibromo-4-cyanophenyl) heptanoate subject to specific regulations?
(2,6-dibromo-4-cyanophenyl) heptanoate is subject to European REACH regulation and CLP classification requirements. While not currently listed as SVHC, its reproductive toxicity classification (Repr. 2) may trigger additional restrictions. Companies must ensure proper registration, classification, and safety data sheet provisions. Regular monitoring of regulatory updates is recommended for compliance.
Where to buy (2,6-dibromo-4-cyanophenyl) heptanoate in Europe?
(2,6-dibromo-4-cyanophenyl) heptanoate is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound with full regulatory compliance, proper packaging, and complete documentation including safety data sheets. As an established chemical distributor, OYSI ensures quality standards and reliable supply chains for professional customers across Europe.
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(2,6-dibromo-4-cyanophenyl) heptanoate is a dangerous good. We support you with labeling, packaging, and transport documentation.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.