(2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate
C14H18N2O7
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Identification
- CAS Number
- 973-21-7
- EC Number
- 213-546-1
- UN Number
- 2779
- Index Number
- 006-028-00-X
- PubChem CID
- 13783
Physical-chemical properties
- Molecular Formula
- C14H18N2O7
- Molar Mass
- 326.30 g/mol
- IUPAC Name
- (2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate
Chemical Identifiers
- InChI
- InChI=1S/C14H18N2O7/c1-5-9(4)11-6-10(15(18)19)7-12(16(20)21)13(11)23-14(17)22-8(2)3/h6-9H,5H2,1-4H3
- InChI Key
- HDWLUGYOLUHEMN-UHFFFAOYSA-N
Overview
(2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate (CAS 973-21-7) is an organic carbonate compound with dinitrophenyl functionality and significant toxicological properties. This specialized chemical compound belongs to the carbonate ester family and features a complex molecular structure combining dinitrophenyl and alkyl carbonate moieties. With the molecular formula C14H18N2O7 and a molecular weight of 326.3 g/mol, this substance exhibits distinctive chemical properties that make it valuable for specific industrial applications. The presence of nitro groups on the phenyl ring contributes to its reactivity profile and environmental behavior. The compound is classified under significant safety considerations, bearing the "Danger" signal word and requiring careful handling protocols. Its acute toxicity classification (Acute Tox. 3) necessitates appropriate personal protective equipment and controlled working environments. Additionally, its aquatic toxicity profile (Aquatic Acute 1, Aquatic Chronic 1) requires special attention to environmental containment and disposal procedures. The substance falls under ADR class 6.1 for transportation purposes, reflecting its toxic nature. Industrial applications typically involve its use as an intermediate in organic synthesis processes, particularly in the development of specialized chemical products where the unique dinitrophenyl carbonate structure provides specific reactivity patterns. The compound may also find application in research and development activities requiring precise chemical transformations. Similar carbonate compounds like (2-propan-2-yloxyphenyl) N-methylcarbamate share structural features that make them useful in comparable synthetic pathways. OYSI maintains availability of this technical-grade chemical compound for qualified industrial customers requiring specialized carbonate chemistry solutions.
Safety & Classification
Acute Tox. 3 *; 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
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 | II |
| Tunnel Code | D/E |
| Proper Shipping Name | Dinobuton (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is (2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate?
(2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate is an organic chemical compound with the molecular formula C14H18N2O7 and CAS number 973-21-7. This carbonate ester has a molecular weight of 326.3 g/mol and features a dinitrophenyl group substituted with branched alkyl chains. It is classified as an acutely toxic substance and poses significant environmental hazards to aquatic life.
What are the physicochemical properties of (2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate?
(2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate is a solid organic compound at room temperature with a molecular weight of 326.3 g/mol. The presence of nitro groups typically imparts a yellow to orange coloration to such compounds. Its carbonate ester structure and aromatic ring system influence its solubility profile, being more soluble in organic solvents than in water.
What is (2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate used for?
(2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate is primarily used as a chemical intermediate in organic synthesis and pharmaceutical research. Its dinitrophenyl carbonate structure makes it valuable for synthetic chemistry applications, particularly in reactions requiring activated carbonate esters. It may also serve as a reagent in specialized chemical processes within the pharmaceutical and fine chemical industries.
How to handle (2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate safely?
(2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate requires careful handling due to its Acute Tox. 3 classification. Always wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume extraction systems. Avoid skin contact, inhalation, and ingestion. The GHS06 pictogram indicates acute toxicity hazards that must be respected during all handling operations.
How to store (2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate correctly?
(2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly sealed and protected from light and moisture. Due to its environmental hazard classification (GHS09), ensure storage areas have appropriate containment measures to prevent environmental release. Store separately from food, beverages, and animal feed in designated chemical storage areas.
What to do in case of contact with (2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate?
Immediate action is required following contact with (2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate due to its acute toxicity. For skin contact, immediately wash with plenty of water for at least 15 minutes. If inhaled, move to fresh air immediately. In case of eye contact, rinse thoroughly with water. Remove contaminated clothing. 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) propan-2-yl carbonate appropriately?
(2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate must be disposed of as hazardous waste through licensed waste management companies. Due to its acute toxicity and environmental hazard classifications, it cannot be disposed of in regular waste streams. Incineration at high temperatures in specialized facilities is typically required. Always comply with local, national, and EU waste regulations, and maintain proper waste documentation throughout the disposal process.
How to transport (2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate?
(2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate is classified under ADR Class 6.1 (Toxic substances) Packing Group II, indicating moderate toxicity requiring specific transport precautions. Use appropriate UN-specification packaging and proper hazard labels during transport. Ensure compliance with ADR regulations for toxic substances, including proper documentation, vehicle requirements, and driver training. Transport should only be conducted by qualified personnel familiar with dangerous goods regulations.
Is (2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate subject to specific regulations?
(2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate is subject to EU CLP regulation due to its hazard classifications (Acute Tox. 3, Aquatic Acute 1, Aquatic Chronic 1). It falls under REACH registration requirements for chemical substances. While not currently listed as SVHC, its environmental and toxicity profile means it must comply with strict labeling, safety data sheet, and notification requirements throughout the EU supply chain.
Where to buy (2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate in Europe?
(2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound to qualified industrial and research customers across Europe, ensuring compliance with all relevant regulations including REACH and CLP. As a specialized chemical with specific hazard classifications, it is only supplied to customers with appropriate handling capabilities and legitimate industrial applications.
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(2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate 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.