(2-butan-2-yl-4,6-dinitrophenyl) acetate

C12H14N2O6

CAS2813-95-8
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
2813-95-8
EC Number
220-560-1
UN Number
2779
Index Number
609-026-00-2
PubChem CID
17776

Physical-chemical properties

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

Chemical Identifiers

InChI
InChI=1S/C12H14N2O6/c1-4-7(2)10-5-9(13(16)17)6-11(14(18)19)12(10)20-8(3)15/h5-7H,4H2,1-3H3
InChI Key
RDJTWDKSYLLHRW-UHFFFAOYSA-N

Overview

(2-butan-2-yl-4,6-dinitrophenyl) acetate (CAS 2813-95-8) is a dinitrophenyl ester compound with significant toxicity and reproductive hazard properties. This specialized chemical compound, also identified by EC number 220-560-1, belongs to the dinitrophenyl acetate family and exhibits a molecular formula of C12H14N2O6 with a molecular weight of 282.25 g/mol. The substance is characterized by its complex aromatic structure featuring two nitro groups and an acetate ester functionality, which contributes to its distinctive chemical reactivity profile. The compound presents significant safety considerations, classified under multiple hazard categories including reproductive toxicity (Repr. 1B), acute toxicity (Acute Tox. 3), eye irritation (Eye Irrit. 2), and aquatic toxicity (Aquatic Acute 1, Aquatic Chronic 1). These classifications necessitate careful handling protocols and appropriate personal protective equipment during industrial operations. The substance carries the signal word "Danger" and displays GHS pictograms GHS08, GHS06, and GHS09, indicating serious health hazards, acute toxicity, and environmental dangers respectively. Transportation regulations classify it under ADR class 6.1, reflecting its toxic properties. Industrial applications typically involve its use as a chemical intermediate in organic synthesis, particularly in the production of specialized pharmaceutical compounds and agrochemical formulations. The compound's unique structural properties make it valuable in research applications requiring specific dinitrophenyl derivatives. Its chemical behavior shares similarities with related compounds such as 2-butan-2-yl-4,6-dinitrophenol, which serves as a precursor in various synthetic pathways. OYSI maintains reliable supply chains for (2-butan-2-yl-4,6-dinitrophenyl) acetate to support European industrial customers requiring this specialized chemical intermediate.

Safety & Classification

Danger
Classification:

Repr. 1B; Acute Tox. 3 *; Acute Tox. 3 *; Eye Irrit. 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.

H301

Toxic if swallowed.

H319

Causes serious eye irritation.

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:

Eye Contact

Irritant

Measures if substance gets into the eyes

First Aid Actions

  • +P305IF IN EYES:
  • +P351Rinse cautiously with water for several minutes.
  • +P338Remove contact lenses, if present and easy to do. Continue rinsing.
  • +P313Get medical advice/attention.

Related hazard statements:

Ingestion

Toxic

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 NameDinosebacetat, fest
Marine PollutantNo

Frequently Asked Questions

What is (2-butan-2-yl-4,6-dinitrophenyl) acetate?

(2-butan-2-yl-4,6-dinitrophenyl) acetate is an organic chemical compound with the molecular formula C12H14N2O6 and CAS number 2813-95-8. This substance has a molecular weight of 282.25 g/mol and belongs to the class of dinitrophenyl acetate derivatives. It is classified as a hazardous substance with reproductive toxicity, acute toxicity, and environmental hazard properties, requiring careful handling and storage protocols in industrial applications.

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

(2-butan-2-yl-4,6-dinitrophenyl) acetate is a solid organic compound at room temperature with a molecular weight of 282.25 g/mol. The substance contains dinitrophenyl and acetate functional groups, which influence its chemical reactivity and solubility characteristics. Due to its aromatic structure and polar functional groups, it typically exhibits limited water solubility but may dissolve in organic solvents. Specific physical properties should be confirmed through technical documentation.

What is (2-butan-2-yl-4,6-dinitrophenyl) acetate used for?

(2-butan-2-yl-4,6-dinitrophenyl) acetate is primarily used as a chemical intermediate and reagent in specialized industrial applications. Its dinitrophenyl structure makes it valuable in analytical chemistry and research applications. The compound may also serve as a precursor in the synthesis of other specialized chemicals or as a component in specific formulations requiring its unique chemical properties. Professional use requires appropriate safety measures due to its hazardous classification.

How to handle (2-butan-2-yl-4,6-dinitrophenyl) acetate safely?

(2-butan-2-yl-4,6-dinitrophenyl) acetate must be handled with extreme caution due to its Acute Tox. 3 and Repr. 1B classifications. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and respiratory protection. Work should be conducted in well-ventilated areas or under fume hoods. Avoid skin and eye contact, inhalation, and ingestion. Implement proper hygiene measures including thorough handwashing after handling and immediate cleanup of any spills.

How to store (2-butan-2-yl-4,6-dinitrophenyl) acetate correctly?

(2-butan-2-yl-4,6-dinitrophenyl) acetate should be stored in tightly sealed original containers in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Storage areas must be equipped with appropriate safety measures due to the substance's toxic properties. Keep away from incompatible materials and ensure containers are properly labeled. Access should be restricted to trained personnel only, and storage facilities should comply with local regulations for toxic substances.

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

Immediate action is required for any contact with (2-butan-2-yl-4,6-dinitrophenyl) acetate due to its acute toxicity. For skin contact: remove contaminated clothing and rinse thoroughly with water for at least 15 minutes. Eye contact: flush immediately with clean water for 15 minutes while holding eyelids open. Inhalation: move to fresh air immediately. Ingestion: do not induce vomiting, rinse mouth if conscious. Seek medical attention immediately in all cases and provide safety data sheet to medical personnel.

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

(2-butan-2-yl-4,6-dinitrophenyl) acetate must be disposed of as hazardous waste through licensed waste management companies due to its toxic and environmentally hazardous properties. Never dispose of this substance in regular waste streams, sewage systems, or the environment. Collection, transport, and disposal must comply with local, national, and European waste regulations. Waste containers should be properly labeled and stored securely until collection by authorized disposal services.

How to transport (2-butan-2-yl-4,6-dinitrophenyl) acetate?

(2-butan-2-yl-4,6-dinitrophenyl) acetate is classified under ADR Class 6.1 (Toxic substances), Packing Group III for transportation purposes. This classification requires specific packaging, labeling, and documentation according to dangerous goods regulations. Transport vehicles must carry appropriate emergency equipment and drivers require ADR certification. Packages must display proper hazard labels and shipping documentation must include all required dangerous goods information. Only authorized carriers should handle transportation of this toxic substance.

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

(2-butan-2-yl-4,6-dinitrophenyl) acetate is subject to comprehensive European chemical regulations including REACH registration requirements and CLP classification obligations. While not currently listed as an SVHC substance, its Repr. 1B classification may trigger specific restrictions or authorization requirements. Users must comply with occupational safety regulations, environmental protection laws, and proper labeling requirements. Companies handling this substance should maintain safety data sheets and implement appropriate risk management measures according to regulatory requirements.

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

(2-butan-2-yl-4,6-dinitrophenyl) acetate is available through specialized chemical distributors in Europe, including OYSI, which serves as a reliable European supplier of technical chemicals. Due to its hazardous classification, purchase requires proper business credentials and compliance with regulatory requirements. OYSI provides professional support for technical chemicals including proper documentation, safety data sheets, and regulatory compliance guidance. Contact authorized chemical suppliers for availability, specifications, and regulatory requirements specific to your application needs.

Data Sources

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