(2-butan-2-yl-4,6-dinitrophenyl) acetate
C12H14N2O6
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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 derivative with significant toxicological properties and reproductive hazard classification. This specialized chemical compound belongs to the family of dinitrophenyl esters, characterized by its distinctive molecular structure containing both nitro groups and an acetate functional group. The substance presents a complex hazard profile, classified as a Category 1B reproductive toxicant and Category 3 acute toxicant, requiring careful handling protocols in industrial applications. Its molecular formula C12H14N2O6 and molecular weight of 282.25 g/mol reflect its moderate molecular complexity, while the presence of multiple functional groups contributes to its specific chemical reactivity patterns. The compound shares structural similarities with 2-butan-2-yl-4,6-dinitrophenol, differing primarily in the acetate substitution, which significantly influences its solubility and biological activity profile. This structural relationship is important for understanding its behavior in various chemical processes and safety considerations. From a safety perspective, (2-butan-2-yl-4,6-dinitrophenyl) acetate requires stringent handling procedures due to its GHS08, GHS06, and GHS09 pictogram classifications, indicating health hazards, acute toxicity, and environmental dangers. The ADR Class 6.1 designation confirms its status as a toxic substance requiring specialized transportation protocols. Industrial applications typically involve its use as a chemical intermediate in specialized synthesis processes, analytical chemistry applications, and research purposes where its unique dinitrophenyl structure provides specific reactivity characteristics. OYSI maintains availability of (2-butan-2-yl-4,6-dinitrophenyl) acetate for qualified industrial customers with appropriate handling capabilities and regulatory compliance frameworks.
Safety & Classification
Repr. 1B; Acute Tox. 3 *; Acute Tox. 3 *; Eye Irrit. 2; 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
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:
Eye Contact
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
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 | 2779 |
| ADR Class | 6.1 |
| Packing Group | III |
| Tunnel Code | E |
| Proper Shipping Name | Dinosebacetat, fest |
| Marine Pollutant | No |
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 in professional 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 presence of dinitrophenyl groups typically imparts a yellow to orange coloration to such compounds. Its structure contains both polar (nitro groups, acetate) and nonpolar (butyl chain) components, affecting its solubility characteristics in various solvents.
What is (2-butan-2-yl-4,6-dinitrophenyl) acetate used for?
(2-butan-2-yl-4,6-dinitrophenyl) acetate is primarily used in specialized chemical applications and research contexts. Dinitrophenyl acetate derivatives are commonly employed as analytical reagents, intermediates in organic synthesis, or as standards in chromatographic analysis. Due to its hazardous classification, its use is restricted to professional industrial and laboratory environments with appropriate safety measures and expertise.
How to handle (2-butan-2-yl-4,6-dinitrophenyl) acetate safely?
(2-butan-2-yl-4,6-dinitrophenyl) acetate requires strict safety protocols due to its Danger signal word and multiple hazard classifications. Essential protective equipment includes chemical-resistant gloves, safety goggles, and respiratory protection when handling. Work should be conducted in well-ventilated areas or under fume hoods. Avoid skin and eye contact, inhalation, and ingestion. Pregnant women should not handle this substance due to its reproductive toxicity classification (Repr. 1B).
How to store (2-butan-2-yl-4,6-dinitrophenyl) acetate correctly?
(2-butan-2-yl-4,6-dinitrophenyl) acetate must be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers tightly sealed and labeled according to CLP regulations with appropriate GHS pictograms (GHS08, GHS06, GHS09). Store separately from food, beverages, and animal feeding stuffs. Access should be restricted to authorized personnel only due to its reproductive and acute toxicity hazards.
What to do in case of contact with (2-butan-2-yl-4,6-dinitrophenyl) acetate?
Immediate action is required upon contact with (2-butan-2-yl-4,6-dinitrophenyl) acetate due to its acute toxicity classification. For skin contact: remove contaminated clothing and wash thoroughly with soap and water. For eye contact: rinse immediately with plenty of water for at least 15 minutes and seek medical attention. If inhaled: move to fresh air immediately. If swallowed: seek immediate medical attention and do not induce vomiting. Always consult a physician in case of exposure.
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 authorized waste management companies due to its toxic and environmental hazard classifications. Never dispose of in regular waste, sewers, or the environment. Collection, transport, and disposal must comply with local and European waste regulations. Contaminated packaging should also be treated as hazardous waste and disposed of through appropriate channels with proper documentation.
How to transport (2-butan-2-yl-4,6-dinitrophenyl) acetate?
(2-butan-2-yl-4,6-dinitrophenyl) acetate is classified under ADR transport regulations as Class 6.1 (Toxic substances), Packing Group III. Transportation requires appropriate UN-approved packaging, proper labeling with hazard diamonds, and accompanying transport documents. Drivers must hold ADR certification for dangerous goods. The substance must be segregated from incompatible materials during transport and handled according to international dangerous goods regulations.
Is (2-butan-2-yl-4,6-dinitrophenyl) acetate subject to specific regulations?
(2-butan-2-yl-4,6-dinitrophenyl) acetate is subject to multiple European chemical regulations including REACH registration requirements and CLP classification and labeling provisions. While not currently listed as an SVHC substance, its Repr. 1B classification means it may face future restrictions under REACH Annex XVII. Companies must comply with safety data sheet requirements, worker protection regulations, and environmental discharge limitations due to its aquatic toxicity classification.
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 supplies high-quality chemical products to professional users across European markets. Due to its hazardous classification, purchase is typically restricted to qualified industrial and research customers with appropriate handling capabilities. Buyers must ensure compliance with local regulations and proper safety infrastructure before procurement of this regulated substance.
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ADR Consulting for (2-butan-2-yl-4,6-dinitrophenyl) acetate
(2-butan-2-yl-4,6-dinitrophenyl) acetate 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.