(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 an organophosphorus ester compound with significant toxicological properties and environmental impact concerns. This specialized chemical compound, also identified by EC number 207-612-9, belongs to the class of dinitrophenyl esters with a molecular formula of C15H18N2O6 and molecular weight of 322.31 g/mol. The substance presents a complex molecular structure featuring both nitro groups and an ester linkage, which contribute to its distinctive chemical behavior and biological activity profile. The compound carries significant safety classifications under the CLP Regulation, including reproductive toxicity category 1B, acute toxicity category 4, and severe aquatic toxicity classifications. These hazard classifications necessitate careful handling protocols and specialized storage conditions. The presence of GHS08, GHS07, and GHS09 pictograms indicates serious health hazards, harmful effects, and environmental dangers respectively. Transportation falls under ADR class 6.1, reflecting its toxic nature. From a chemical family perspective, this dinitrophenyl compound shares certain structural characteristics with other aromatic compounds, though it differs significantly from simpler molecules like benzene-1,3-diol in terms of complexity and toxicity profile. The nitro-substituted aromatic ring system contributes to its stability and reactivity patterns. Industrial applications typically involve specialized research purposes, analytical chemistry standards, and specific synthetic processes where its unique chemical properties are essential. The compound may also serve as an intermediate in the production of specialized materials or as a reference standard in analytical laboratories. OYSI maintains technical-grade supplies of this compound for qualified industrial customers requiring documented chemical specifications and regulatory compliance.

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 the molecular formula C15H18N2O6 and CAS number 485-31-4. This substance has a molecular weight of 322.31 g/mol and belongs to the class of dinitrophenyl esters. It is classified as a reproductive toxicant category 1B and presents acute toxicity hazards, requiring careful handling in professional 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 dinitrophenyl and methylbutenoate functional groups, which influence its chemical behavior. Specific physical properties such as melting point, boiling point, and solubility depend on the particular grade and should be confirmed through technical documentation from the supplier.

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 primarily used in specialized chemical applications and research. As a dinitrophenyl ester, it may serve as an intermediate in organic synthesis, analytical chemistry applications, or specialized industrial processes. Due to its hazardous classification, its use is restricted to professional environments with appropriate safety measures and expertise in handling dangerous substances.

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

(2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate requires strict safety protocols due to its Repr. 1B and Acute Tox. 4 classifications. Use appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and respiratory protection. Work in well-ventilated areas or under fume hoods. Avoid skin contact, inhalation, and ingestion. Implement proper hygiene measures and ensure trained personnel handle this substance following established safety procedures.

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

(2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate must be stored in a secure, well-ventilated area away from incompatible materials. Keep containers tightly closed and protected from moisture, heat, and direct sunlight. Storage areas should be equipped with appropriate spill containment measures and restricted access. Due to its hazardous nature, follow local regulations for storage of toxic substances and maintain proper inventory records.

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

Immediate action is required upon 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 rinse thoroughly with water for at least 15 minutes. If inhaled, move to fresh air immediately. For eye contact, flush with water continuously. Do not induce vomiting if ingested. Seek immediate medical attention in all cases and provide safety data sheet information to medical personnel.

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

(2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate must be disposed of through licensed hazardous waste disposal facilities due to its toxic and environmentally hazardous properties. Never dispose of this substance in regular waste streams, sewers, or water bodies. Contact certified waste management companies specializing in toxic chemical disposal. Follow local and EU regulations for hazardous waste classification and documentation requirements throughout the disposal process.

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. Transportation requires proper UN-specification packaging, appropriate labeling with Class 6.1 hazard labels, and accompanying transport documentation. Drivers must hold ADR certification for dangerous goods. Ensure packages are secured, protected from damage, and accompanied by emergency response information during transport.

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

(2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate is subject to EU REACH regulations and CLP classification requirements. As a Repr. 1B substance, it faces restrictions on marketing and use, requiring authorization for certain applications. The substance is classified as dangerous goods under ADR for transport. Users must comply with occupational exposure limits, implement risk management measures, and maintain proper documentation for regulatory compliance.

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 European distributor specializing in technical chemical products. As a specialized hazardous substance, procurement requires proper documentation, safety certifications, and compliance with regulatory requirements. OYSI provides technical support, safety documentation, and ensures proper handling throughout the supply chain for professional users across Europe requiring this specialized chemical compound.

Data Sources

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