(2,6-dinitro-4-octan-3-ylphenyl) methyl carbonate;(2,6-dinitro-4-octan-4-ylphenyl) methyl carbonate
C32H44N4O14
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Identification
- CAS Number
- 63919-26-6
- UN Number
- 3077
- Index Number
- 609-027-00-8
- PubChem CID
- 3048683
Physical-chemical properties
- Molecular Formula
- C32H44N4O14
- Molar Mass
- 708.70 g/mol
- IUPAC Name
- (2,6-dinitro-4-octan-3-ylphenyl) methyl carbonate;(2,6-dinitro-4-octan-4-ylphenyl) methyl carbonate
Chemical Identifiers
- InChI
- InChI=1S/2C16H22N2O7/c1-4-6-7-8-11(5-2)12-9-13(17(20)21)15(25-16(19)24-3)14(10-12)18(22)23;1-4-6-8-11(7-5-2)12-9-13(17(20)21)15(25-16(19)24-3)14(10-12)18(22)23/h2*9-11H,4-8H2,1-3H3
- InChI Key
- UDIAIAGDVJNKBL-UHFFFAOYSA-N
Overview
(2,6-dinitro-4-octan-3-ylphenyl) methyl carbonate (CAS 63919-26-6) is a dinitrophenyl carbonate compound with pesticidal properties and aquatic toxicity characteristics. This specialized organic compound represents a complex dinitrophenyl derivative featuring dual carbonate ester functionalities linked to octyl-substituted phenyl rings. The molecule's structure incorporates nitro groups at the 2,6-positions of the aromatic rings, which significantly influence its chemical reactivity and biological activity. With a molecular formula of C32H44N4O14 and molecular weight of 708.7 g/mol, this compound exhibits considerable molecular complexity that contributes to its specific technical applications. The substance is classified under GHS hazard categories including Acute Toxicity Category 4 and both Acute and Chronic Aquatic Toxicity Category 1, requiring careful handling protocols and environmental considerations. The Warning signal word and associated GHS07 and GHS09 pictograms indicate moderate acute toxicity risks and significant environmental hazards, particularly to aquatic ecosystems. Transportation classification under ADR Class 9 designates it as a miscellaneous dangerous substance requiring appropriate shipping documentation and packaging. Primary industrial applications include crop protection formulations and specialized pest control systems, where its dinitrophenyl structure provides effective bioactivity. The compound also finds use in research applications for pesticide development and environmental fate studies. Its chemical profile shares certain characteristics with related compounds such as 2-N,4-N-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine, though with distinct mechanistic properties due to the carbonate ester functionality. OYSI maintains reliable supply chains for this technical compound, supporting European customers with comprehensive documentation and regulatory compliance assistance.
Safety & Classification
Acute Tox. 4 *; 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 | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Dinocton, Isomere oder Isomerengemisch |
| Marine Pollutant | No |
Frequently Asked Questions
What is (2,6-dinitro-4-octan-3-ylphenyl) methyl carbonate;(2,6-dinitro-4-octan-4-ylphenyl) methyl carbonate?
(2,6-dinitro-4-octan-3-ylphenyl) methyl carbonate;(2,6-dinitro-4-octan-4-ylphenyl) methyl carbonate is an organic chemical compound with CAS number 63919-26-6. This complex molecule has a molecular formula of C32H44N4O14 and a molecular weight of 708.7 g/mol. It belongs to the carbonate ester family and features two dinitrophenyl groups with octyl substituents. The compound is classified as hazardous with acute toxicity properties and environmental concerns.
What are the physicochemical properties of (2,6-dinitro-4-octan-3-ylphenyl) methyl carbonate;(2,6-dinitro-4-octan-4-ylphenyl) methyl carbonate?
(2,6-dinitro-4-octan-3-ylphenyl) methyl carbonate;(2,6-dinitro-4-octan-4-ylphenyl) methyl carbonate has a molecular weight of 708.7 g/mol with the formula C32H44N4O14. As a carbonate ester containing nitro groups and long alkyl chains, it likely exists as a solid or viscous liquid at room temperature. The presence of nitro groups suggests potential yellow coloration, while the carbonate functionality indicates limited water solubility but good solubility in organic solvents.
What is (2,6-dinitro-4-octan-3-ylphenyl) methyl carbonate;(2,6-dinitro-4-octan-4-ylphenyl) methyl carbonate used for?
(2,6-dinitro-4-octan-3-ylphenyl) methyl carbonate;(2,6-dinitro-4-octan-4-ylphenyl) methyl carbonate is typically used as a specialty chemical intermediate in organic synthesis and industrial applications. Its carbonate ester structure makes it suitable for use as a protecting group reagent or as an intermediate in pharmaceutical and agrochemical manufacturing. The compound may also find applications in materials science research and specialized coating formulations due to its unique molecular structure.
How to handle (2,6-dinitro-4-octan-3-ylphenyl) methyl carbonate;(2,6-dinitro-4-octan-4-ylphenyl) methyl carbonate safely?
(2,6-dinitro-4-octan-3-ylphenyl) methyl carbonate;(2,6-dinitro-4-octan-4-ylphenyl) methyl carbonate requires careful handling due to its Acute Tox. 4 classification. Always wear appropriate personal protective equipment including safety goggles, chemical-resistant gloves, and protective clothing. Work in well-ventilated areas or under fume hoods to avoid inhalation. Prevent skin and eye contact, and avoid ingestion. Keep away from heat sources and incompatible materials. Follow proper hygiene practices and wash hands thoroughly after handling.
How to store (2,6-dinitro-4-octan-3-ylphenyl) methyl carbonate;(2,6-dinitro-4-octan-4-ylphenyl) methyl carbonate properly?
(2,6-dinitro-4-octan-3-ylphenyl) methyl carbonate;(2,6-dinitro-4-octan-4-ylphenyl) methyl carbonate should be stored in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Use tightly sealed original containers made of compatible materials. Store separately from incompatible substances such as strong oxidizers, reducing agents, and bases. Maintain storage temperature according to manufacturer specifications. Ensure proper labeling and implement appropriate spill containment measures. Access should be restricted to trained personnel only.
What to do in case of contact with (2,6-dinitro-4-octan-3-ylphenyl) methyl carbonate;(2,6-dinitro-4-octan-4-ylphenyl) methyl carbonate?
Immediate action is required if contact occurs with (2,6-dinitro-4-octan-3-ylphenyl) methyl carbonate;(2,6-dinitro-4-octan-4-ylphenyl) methyl carbonate. For skin contact, remove contaminated clothing and rinse affected area with plenty of water for at least 15 minutes. If eye contact occurs, flush immediately with clean water for 15-20 minutes. If inhaled, move to fresh air immediately. If ingested, do not induce vomiting. Seek immediate medical attention in all cases and provide the safety data sheet to medical personnel.
How to dispose of (2,6-dinitro-4-octan-3-ylphenyl) methyl carbonate;(2,6-dinitro-4-octan-4-ylphenyl) methyl carbonate appropriately?
(2,6-dinitro-4-octan-3-ylphenyl) methyl carbonate;(2,6-dinitro-4-octan-4-ylphenyl) methyl carbonate must be disposed of as hazardous waste according to local and national regulations. Due to its aquatic toxicity classification, prevent release to water systems. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Incineration at authorized high-temperature facilities may be appropriate. Empty containers should also be handled as hazardous waste. Always consult local environmental authorities for specific disposal requirements and obtain proper waste codes.
How to transport (2,6-dinitro-4-octan-3-ylphenyl) methyl carbonate;(2,6-dinitro-4-octan-4-ylphenyl) methyl carbonate?
(2,6-dinitro-4-octan-3-ylphenyl) methyl carbonate;(2,6-dinitro-4-octan-4-ylphenyl) methyl carbonate is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III. This classification requires appropriate packaging, labeling, and documentation for transport. Use UN-approved packaging and ensure proper hazard labels are affixed. Transport vehicles must comply with ADR requirements including equipment and driver training. Shipping documents must include proper shipping names, hazard class, and emergency response information.
Is (2,6-dinitro-4-octan-3-ylphenyl) methyl carbonate;(2,6-dinitro-4-octan-4-ylphenyl) methyl carbonate subject to special regulations?
(2,6-dinitro-4-octan-3-ylphenyl) methyl carbonate;(2,6-dinitro-4-octan-4-ylphenyl) methyl carbonate is subject to standard chemical regulations including REACH registration requirements in the EU and CLP classification obligations. While not identified as an SVHC substance, its acute toxicity and environmental hazard classifications trigger specific labeling, packaging, and safety data sheet requirements. Users must comply with occupational exposure limits, environmental discharge restrictions, and transport regulations. Registration and authorization requirements may apply depending on tonnage and use patterns.
Where to buy (2,6-dinitro-4-octan-3-ylphenyl) methyl carbonate;(2,6-dinitro-4-octan-4-ylphenyl) methyl carbonate in Europe?
(2,6-dinitro-4-octan-3-ylphenyl) methyl carbonate;(2,6-dinitro-4-octan-4-ylphenyl) methyl carbonate is available through OYSI, a leading European distributor of specialty chemicals. OYSI provides this compound to industrial customers across Europe with proper regulatory compliance and technical support. As a specialized chemical intermediate, availability may be subject to minimum order quantities and lead times. Contact OYSI directly for current pricing, specifications, and delivery options. All shipments include proper hazard documentation and safety data sheets.
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(2,6-dinitro-4-octan-3-ylphenyl) methyl carbonate;(2,6-dinitro-4-octan-4-ylphenyl) methyl 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.