(2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate
C14H18N2O7
Consulting for (2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate
Our experts support you with application, dosage, and compliance.
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 organophosphorus compound with significant toxicological properties and environmental impact concerns. This specialized chemical compound, with the molecular formula C14H18N2O7 and a molecular weight of 326.3 g/mol, belongs to the carbonate ester family and exhibits notable biological activity. The presence of dinitrophenyl groups in its structure contributes to its pronounced toxicity profile, classified under GHS hazard categories including Acute Toxicity Category 3 and both acute and chronic aquatic toxicity. The compound requires careful handling protocols due to its "Danger" signal word classification and associated GHS06 (skull and crossbones) and GHS09 (environmental) pictograms. The substance's chemical structure features a carbonate linkage between a substituted dinitrophenyl group and an isopropyl moiety, making it structurally related to other biologically active compounds such as (2-propan-2-yloxyphenyl) N-methylcarbamate, which shares similar phenolic characteristics. This structural similarity places it within a broader category of compounds that often exhibit pesticidal or pharmaceutical properties. Due to its high toxicity profile (ADR Class 6.1), this compound requires specialized storage and transportation conditions. Environmental considerations are particularly important given its aquatic toxicity classification, necessitating strict containment and disposal protocols to prevent ecological contamination. Industrial applications typically include use as an intermediate in pharmaceutical synthesis, specialized research applications, and potentially in agrochemical formulations where its biological activity can be utilized effectively under controlled conditions. OYSI maintains availability of (2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate for qualified industrial customers with appropriate handling capabilities and regulatory compliance frameworks.
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 compound with the molecular formula C14H18N2O7 and CAS number 973-21-7. This chemical substance has a molecular weight of 326.3 g/mol and belongs to the carbonate ester family. It contains dinitrophenyl functional groups, making it a specialized chemical intermediate. The compound is classified as acutely toxic and environmentally hazardous, requiring careful handling in industrial applications.
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 dinitrophenyl groups typically imparts a yellow to orange coloration to such compounds. Its carbonate ester structure influences its solubility characteristics, being generally more soluble in organic solvents than in water. The compound's stability and reactivity are influenced by both the carbonate functionality and the electron-withdrawing nitro groups.
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 serves as a chemical intermediate in organic synthesis and pharmaceutical manufacturing. Its dinitrophenyl carbonate structure makes it useful in coupling reactions and as a leaving group in organic transformations. The compound may be employed in the preparation of active pharmaceutical ingredients or specialty chemicals. Due to its reactive carbonate functionality, it can participate in nucleophilic substitution reactions for creating new chemical bonds.
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 and Danger signal word. Personnel must wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Given its GHS06 pictogram indicating acute toxicity, avoid skin and eye contact, and prevent ingestion. Emergency procedures should be readily available.
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 heat sources and incompatible materials. Keep containers tightly sealed and labeled according to GHS requirements with GHS06 and GHS09 pictograms. Due to its aquatic toxicity classification, prevent environmental release during storage. Store separately from oxidizing agents, bases, and nucleophiles that could react with the carbonate functionality. Regular inspection of storage containers is recommended to ensure integrity.
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, remove contaminated clothing and wash the affected area thoroughly with soap and water. In case of eye contact, rinse immediately with plenty of water for at least 15 minutes. If inhaled, move the person to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention. Always consult a physician and provide the safety data sheet.
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 according to local and European regulations due to its toxicity and environmental impact. The compound cannot be disposed of in regular waste streams given its Aquatic Acute 1 and Aquatic Chronic 1 classifications. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Incineration at high temperatures in specialized facilities may be required. Never discharge into sewers, waterways, or soil to prevent environmental contamination.
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, Packing Group II, indicating it is a toxic substance requiring specialized transport procedures. Packages must be properly labeled with hazard labels and UN identification numbers. Transport vehicles must carry appropriate emergency equipment and documentation. Only certified carriers experienced in handling Class 6.1 materials should transport this substance. Proper packaging meeting UN specifications is mandatory to prevent leakage during transport.
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 European REACH regulation and CLP classification requirements. The compound is classified under GHS with specific hazard categories (Acute Tox. 3, Aquatic Acute 1, Aquatic Chronic 1) requiring appropriate labeling and safety data sheets. It is not currently listed as a Substance of Very High Concern (SVHC). Companies handling this substance must comply with occupational safety regulations and environmental protection laws. Registration requirements under REACH may apply depending on import/manufacturing volumes.
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 with full regulatory compliance including proper classification, labeling, and safety documentation required under European regulations. As an established chemical distributor, OYSI ensures product quality and regulatory adherence for industrial and research applications. Contact OYSI directly for availability, specifications, and technical support for your specific requirements involving this specialized chemical intermediate.
Services for (2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate
Order (2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate
Fast delivery across Europe
SDS Service
Request Safety Data Sheet for (2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate
Technical Consulting
Application advice for (2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate
REACH Safety Data Sheet
REACH Compliance Service
Digital Product Passport
EU-compliant product documentation
ADR Consulting for (2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate
(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.