(2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate

C15H18N2O6

CAS485-31-4
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
485-31-4
EC Number
207-612-9
UN Number
2779
Index Number
609-024-00-1
PubChem CID
10234

Physical-chemical properties

Molecular Formula
C15H18N2O6
Molar Mass
322.31 g/mol
IUPAC Name
(2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate

Chemical Identifiers

InChI
InChI=1S/C15H18N2O6/c1-5-10(4)12-7-11(16(19)20)8-13(17(21)22)15(12)23-14(18)6-9(2)3/h6-8,10H,5H2,1-4H3
InChI Key
ZRDUSMYWDRPZRM-UHFFFAOYSA-N

Overview

(2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate (CAS 485-31-4) is a dinitrophenyl ester compound with significant toxicological properties and reproductive hazard classification. This specialized organic compound, with molecular formula C15H18N2O6 and molecular weight 322.31 g/mol, belongs to the family of dinitrophenyl esters commonly utilized in industrial applications requiring specific chemical reactivity. The substance is characterized by its complex aromatic structure featuring both nitro groups and ester functionality, which contribute to its distinct chemical behavior and hazard profile. Safety considerations are paramount when handling this material, as it carries multiple hazard classifications including reproductive toxicity (Repr. 1B), acute toxicity (Acute Tox. 4), and significant aquatic toxicity (Aquatic Acute 1, Aquatic Chronic 1). The compound requires careful handling protocols under ADR Class 6.1 transportation regulations, with appropriate personal protective equipment and containment measures essential for safe operations. The substance's unique molecular structure makes it valuable in specialized chemical synthesis applications, particularly in pharmaceutical intermediates and advanced materials manufacturing. Industrial applications typically include use as a chemical building block in organic synthesis and as a specialized reagent in research and development processes. Unlike simpler aromatic compounds such as benzene-1,3-diol, this dinitrophenyl ester offers enhanced reactivity for specific synthetic pathways. Environmental considerations are critical due to its aquatic toxicity profile, requiring appropriate waste management and containment procedures. The compound's stability and reactivity characteristics make it suitable for controlled industrial processes where precise chemical transformations are required. OYSI maintains availability of this specialized chemical for qualified industrial customers requiring technical-grade materials for research and manufacturing applications.

Safety & Classification

Danger
Classification:

Repr. 1B; Acute Tox. 4 *; Acute Tox. 4 *; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H312

Harmful in contact with skin.

H302

Harmful if swallowed.

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

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:

Ingestion

Harmful

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 Number2779
ADR Class6.1
Packing GroupIII
Tunnel CodeE
Proper Shipping NameBinapacryl (ISO)
Marine PollutantNo

Frequently Asked Questions

What is (2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate?

(2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate is an organic chemical compound with CAS number 485-31-4 and molecular formula C15H18N2O6. This substance has a molecular weight of 322.31 g/mol and belongs to the category of nitrophenyl esters. It is classified as a hazardous chemical with reproductive toxicity properties and acute toxicity effects, requiring careful handling in industrial applications.

What are the physicochemical properties of (2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate?

(2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate is a complex organic ester with a molecular weight of 322.31 g/mol. The compound contains nitro groups and an ester linkage, which influence its chemical reactivity and stability. Its physicochemical properties are determined by the presence of both aromatic and aliphatic structural components, though specific data on appearance, melting point, and solubility require consultation of detailed technical datasheets.

What is (2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate used for?

(2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate is used in specialized industrial applications where its unique chemical structure provides specific functionality. Given its complex ester structure and nitro groups, it may serve as an intermediate in chemical synthesis or as a specialty reagent. The exact applications depend on the specific requirements of chemical manufacturing processes that benefit from its particular molecular properties.

How to handle (2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate safely?

(2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate must be handled with extreme caution due to its reproductive toxicity (Repr. 1B) and acute toxicity classifications. Essential safety measures include wearing appropriate personal protective equipment such as chemical-resistant gloves, safety goggles, and protective clothing. Work should be conducted in well-ventilated areas or under fume hoods, and skin and eye contact must be strictly avoided to prevent harmful exposure.

How to store (2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate correctly?

(2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate should be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Given its hazardous classification, storage must comply with local regulations for toxic substances. The container should be tightly sealed to prevent contamination and kept in a designated area with restricted access. Environmental protection measures are essential due to its aquatic toxicity classification.

What to do in case of contact with (2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate?

Immediate action is required in case of contact with (2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate due to its acute toxicity. 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. Seek immediate medical attention in all cases and provide the safety data sheet to medical personnel.

How to dispose of (2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate appropriately?

(2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate must be disposed of as hazardous waste through authorized waste management companies. Due to its toxic properties and environmental hazard classification, it cannot be disposed of in regular waste streams. Disposal must comply with local and European waste regulations, including proper classification, documentation, and treatment by licensed facilities specialized in handling toxic chemical waste.

How to transport (2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate?

(2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate is classified under ADR Class 6.1 (Toxic substances), Packing Group III for transportation. This classification requires specific packaging, labeling, and documentation according to international dangerous goods regulations. Transport must be conducted by certified carriers with appropriate training and equipment for handling toxic materials, ensuring compliance with all safety protocols during loading, transit, and unloading operations.

Is (2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate subject to special regulations?

(2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate is subject to comprehensive chemical regulations including REACH registration requirements and CLP classification. While not currently listed as a SVHC (Substance of Very High Concern), its reproductive toxicity classification (Repr. 1B) subjects it to strict regulatory oversight. Users must ensure compliance with occupational exposure limits, authorization requirements, and proper risk assessment procedures under European chemical legislation.

Where to buy (2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate in Europe?

(2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate is available through OYSI, a specialized European distributor of technical chemicals. As an authorized supplier, OYSI can provide this substance with proper documentation, safety data sheets, and regulatory compliance support. Given the hazardous nature of this chemical, procurement should only be conducted by qualified professionals with appropriate facilities and expertise for safe handling and storage.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.