(2-tert-butyl-4,6-dinitrophenyl) acetate

C12H14N2O6

CAS3204-27-1
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

Consulting for (2-tert-butyl-4,6-dinitrophenyl) acetate

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Identification

CAS Number
3204-27-1
EC Number
221-706-7
UN Number
2779
Index Number
609-031-00-X
PubChem CID
76666

Physical-chemical properties

Molecular Formula
C12H14N2O6
Molar Mass
282.25 g/mol
IUPAC Name
(2-tert-butyl-4,6-dinitrophenyl) acetate

Chemical Identifiers

InChI
InChI=1S/C12H14N2O6/c1-7(15)20-11-9(12(2,3)4)5-8(13(16)17)6-10(11)14(18)19/h5-6H,1-4H3
InChI Key
BMJYKXALMDAIEG-UHFFFAOYSA-N

Overview

(2-tert-butyl-4,6-dinitrophenyl) acetate (CAS 3204-27-1) is a nitroaromatic ester compound with significant toxicological properties and environmental hazard potential. This specialized chemical compound belongs to the family of dinitrophenyl derivatives, characterized by its distinctive molecular structure featuring a tert-butyl group and two nitro substituents on a phenyl ring coupled with an acetate moiety. With a molecular weight of 282.25 g/mol and formula C12H14N2O6, this substance exhibits complex chemical behavior typical of nitroaromatic compounds. The presence of both electron-withdrawing nitro groups and the bulky tert-butyl substituent significantly influences its reactivity profile and physical properties. Safety considerations are paramount when handling (2-tert-butyl-4,6-dinitrophenyl) acetate, as it carries multiple severe hazard classifications including reproductive toxicity (Category 1B), acute toxicity, and significant aquatic environmental concerns. The compound requires careful storage and handling protocols consistent with ADR Class 6.1 toxic substances, utilizing appropriate personal protective equipment and containment measures to prevent exposure risks. Industrial applications typically involve its use as an intermediate in organic synthesis processes, particularly in the production of specialized pesticides and pharmaceutical precursors. The compound also serves as a reagent in analytical chemistry applications where selective nitroaromatic reactivity is required. Its structural relationship to 2-tert-butyl-4,6-dinitrophenol makes it valuable in certain derivatization reactions and chemical transformation processes. OYSI maintains availability of (2-tert-butyl-4,6-dinitrophenyl) acetate through its European distribution network, ensuring compliance with REACH regulations and providing comprehensive safety documentation to support responsible industrial applications across various sectors requiring high-purity nitroaromatic compounds.

Safety & Classification

Danger
Classification:

Repr. 1B; Acute Tox. 3 *; Acute Tox. 2 *; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H311

Toxic in contact with skin.

H300

Fatal 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

Toxic

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

Fatal

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 NameDinoterbacetat
Marine PollutantNo

Frequently Asked Questions

What is (2-tert-butyl-4,6-dinitrophenyl) acetate?

(2-tert-butyl-4,6-dinitrophenyl) acetate is an organic chemical compound with the molecular formula C12H14N2O6 and CAS number 3204-27-1. This substance belongs to the class of nitrophenyl acetates, featuring a tert-butyl group and two nitro substituents on the benzene ring. With a molecular weight of 282.25 g/mol, it is classified as highly hazardous due to its reproductive toxicity, acute toxicity, and environmental dangers.

What are the physicochemical properties of (2-tert-butyl-4,6-dinitrophenyl) acetate?

(2-tert-butyl-4,6-dinitrophenyl) acetate is typically a solid crystalline compound at room temperature with a characteristic yellow to orange coloration due to its dinitro substitution pattern. The presence of nitro groups and the acetate functionality influence its polarity and solubility characteristics. The compound exhibits limited water solubility but shows better solubility in organic solvents such as alcohols and aromatic hydrocarbons.

What is (2-tert-butyl-4,6-dinitrophenyl) acetate used for?

(2-tert-butyl-4,6-dinitrophenyl) acetate is primarily used as a chemical intermediate in pharmaceutical and agrochemical synthesis. It serves as a building block for the production of more complex organic molecules and may be employed in research applications for studying nitroaromatic chemistry. The compound's specific substitution pattern makes it valuable for specialized synthetic pathways requiring selective functionalization of aromatic systems.

How to handle (2-tert-butyl-4,6-dinitrophenyl) acetate safely?

(2-tert-butyl-4,6-dinitrophenyl) acetate requires strict safety protocols due to its acute toxicity and reproductive hazards. Personnel must wear appropriate PPE including chemical-resistant gloves, safety goggles, and respiratory protection when handling this substance. Work should be conducted in well-ventilated areas or under fume hoods. Avoid skin contact, inhalation, and ingestion. Implement proper hygiene measures and ensure emergency procedures are readily available.

How to store (2-tert-butyl-4,6-dinitrophenyl) acetate correctly?

(2-tert-butyl-4,6-dinitrophenyl) acetate must be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers tightly closed and properly labeled according to GHS requirements. Store separately from strong oxidizers, reducing agents, and bases. Ensure storage areas have appropriate spill containment measures and emergency equipment. Temperature-controlled storage may be necessary to maintain stability and prevent decomposition.

What to do in case of contact with (2-tert-butyl-4,6-dinitrophenyl) acetate?

Immediate action is required upon contact with (2-tert-butyl-4,6-dinitrophenyl) acetate due to its acute toxicity. For skin contact, remove contaminated clothing and rinse with copious amounts of water. In case of eye contact, flush immediately with water for at least 15 minutes. If inhaled, move to fresh air and seek medical attention. For ingestion, do not induce vomiting and contact poison control immediately. Always seek professional medical advice.

How to dispose of (2-tert-butyl-4,6-dinitrophenyl) acetate properly?

(2-tert-butyl-4,6-dinitrophenyl) acetate must be disposed of as hazardous waste according to local and national regulations due to its toxicity and environmental hazards. Contact licensed waste disposal companies specialized in handling toxic organic compounds. Never dispose of this substance in regular waste streams, sewers, or the environment. Ensure proper documentation and tracking of waste disposal activities as required by applicable environmental regulations.

How to transport (2-tert-butyl-4,6-dinitrophenyl) acetate?

(2-tert-butyl-4,6-dinitrophenyl) acetate is classified under ADR Class 6.1 (toxic substances), Packing Group III for transportation purposes. Packages must be properly labeled with appropriate hazard markings and documentation. Use UN-approved packaging suitable for toxic solids. Transport vehicles must comply with ADR requirements including proper placarding, emergency equipment, and driver certification. Ensure shipping documents accurately reflect the substance's hazard classification.

Is (2-tert-butyl-4,6-dinitrophenyl) acetate subject to specific regulations?

(2-tert-butyl-4,6-dinitrophenyl) acetate is subject to various European regulations including REACH registration requirements and CLP classification as a Category 1B reproductive toxicant. While not currently listed as a SVHC, its hazard profile requires compliance with occupational safety regulations and environmental protection measures. Users must maintain safety data sheets, implement risk management measures, and follow notification requirements as applicable under chemical legislation.

Where to buy (2-tert-butyl-4,6-dinitrophenyl) acetate in Europe?

(2-tert-butyl-4,6-dinitrophenyl) acetate is available through specialized chemical distributors in Europe, including OYSI, which provides reliable supply of technical chemicals across European markets. Due to its hazardous classification, purchases typically require appropriate business credentials and compliance documentation. OYSI ensures proper packaging, documentation, and regulatory compliance for safe delivery. Contact authorized distributors for availability, specifications, and technical support for your specific application requirements.

Data Sources

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