(2,4-dinitro-6-octan-3-ylphenyl) methyl carbonate;(2,4-dinitro-6-octan-4-ylphenyl) methyl carbonate
C32H44N4O14
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Identification
- CAS Number
- 8069-76-9
- UN Number
- 3077
- Index Number
- 609-045-00-6
- PubChem CID
- 202240
Physical-chemical properties
- Molecular Formula
- C32H44N4O14
- Molar Mass
- 708.70 g/mol
- IUPAC Name
- (2,4-dinitro-6-octan-3-ylphenyl) methyl carbonate;(2,4-dinitro-6-octan-4-ylphenyl) methyl carbonate
Chemical Identifiers
- InChI
- InChI=1S/2C16H22N2O7/c1-4-6-7-8-11(5-2)13-9-12(17(20)21)10-14(18(22)23)15(13)25-16(19)24-3;1-4-6-8-11(7-5-2)13-9-12(17(20)21)10-14(18(22)23)15(13)25-16(19)24-3/h2*9-11H,4-8H2,1-3H3
- InChI Key
- BTYIGYHTCNTYTP-UHFFFAOYSA-N
Overview
(2,4-dinitro-6-octan-3-ylphenyl) methyl carbonate (CAS 8069-76-9) is a dinitrophenyl carbonate compound with moderate acute toxicity and significant aquatic toxicity properties. This specialized chemical compound represents a complex organic molecule featuring dual isomeric forms, combining dinitrophenyl groups with octyl chain substitutions and methyl carbonate functionality. The substance exhibits a relatively high molecular weight of 708.7 g/mol and contains multiple functional groups that contribute to its unique chemical properties and industrial applications. The presence of nitro groups at the 2,4-positions of the phenyl ring, combined with the octyl substituents and carbonate ester linkage, creates a compound with distinctive reactivity patterns and solubility characteristics. From a safety perspective, this compound is classified under GHS with Warning signal word, presenting moderate acute toxicity (Category 4) and significant environmental concerns due to its acute and chronic aquatic toxicity (Category 1). The GHS07 and GHS09 pictograms indicate both health hazards and environmental dangers, requiring appropriate handling protocols and environmental protection measures. Transport classification under ADR Class 9 designates it as a miscellaneous dangerous substance requiring specific packaging and documentation requirements. The compound's structural similarity to other specialized chemicals like 2-N,4-N-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine reflects its potential applications in advanced chemical synthesis and specialty formulations. Industrial applications typically include use as an intermediate in pharmaceutical synthesis, specialty polymer production, and advanced materials manufacturing where controlled release or specific reactivity patterns are required. OYSI maintains strategic partnerships with certified manufacturers to ensure reliable supply of this specialized compound for qualified industrial customers across European markets.
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 | 4,6-Dinitro-2-(3-octyl)phenylmethylcarbonat + 4,6-Dinitro-2-(4-octyl)phenylmethylcarbonat, Gemisch |
| Marine Pollutant | No |
Frequently Asked Questions
What is (2,4-dinitro-6-octan-3-ylphenyl) methyl carbonate;(2,4-dinitro-6-octan-4-ylphenyl) methyl carbonate?
(2,4-dinitro-6-octan-3-ylphenyl) methyl carbonate;(2,4-dinitro-6-octan-4-ylphenyl) methyl carbonate is a complex organic chemical compound with the molecular formula C32H44N4O14 and CAS number 8069-76-9. This substance has a molecular weight of 708.7 g/mol and belongs to the class of dinitrophenyl methyl carbonates. It is characterized by the presence of two dinitro groups and octyl side chains, making it a specialized chemical intermediate used in various industrial applications requiring specific molecular properties.
What are the physicochemical properties of (2,4-dinitro-6-octan-3-ylphenyl) methyl carbonate;(2,4-dinitro-6-octan-4-ylphenyl) methyl carbonate?
The substance is a complex organic molecule with a molecular weight of 708.7 g/mol and formula C32H44N4O14. As a dinitrophenyl carbonate derivative, it likely appears as a solid at room temperature with potential coloration due to the nitro groups. The presence of long octyl chains suggests limited water solubility but good solubility in organic solvents. The carbonate functional groups and aromatic rings contribute to its stability under normal conditions, while the nitro groups may impart sensitivity to heat and light.
What is (2,4-dinitro-6-octan-3-ylphenyl) methyl carbonate;(2,4-dinitro-6-octan-4-ylphenyl) methyl carbonate used for?
This compound is typically used as a chemical intermediate in organic synthesis and specialty chemical manufacturing. The dinitrophenyl structure makes it suitable for applications in analytical chemistry, particularly as a derivatizing agent for chromatographic analysis. Its carbonate functionality allows it to serve as a protecting group in multi-step synthetic processes. The specific octyl substitution pattern suggests potential use in the production of specialized polymers, surfactants, or pharmaceutical intermediates where precise molecular architecture is required.
How to handle (2,4-dinitro-6-octan-3-ylphenyl) methyl carbonate;(2,4-dinitro-6-octan-4-ylphenyl) methyl carbonate safely?
Safe handling requires wearing appropriate personal protective equipment including safety goggles, chemical-resistant gloves, and protective clothing due to its Acute Tox. 4 classification. Work in well-ventilated areas or under fume hoods to prevent inhalation. Avoid contact with skin, eyes, and clothing. Use non-sparking tools and equipment as the compound contains nitro groups. Wash hands thoroughly after handling and before eating or drinking. Keep away from heat sources, sparks, and open flames to prevent decomposition or potential hazardous reactions.
How to store (2,4-dinitro-6-octan-3-ylphenyl) methyl carbonate;(2,4-dinitro-6-octan-4-ylphenyl) methyl carbonate correctly?
Store the substance in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers tightly closed when not in use to prevent contamination and degradation. Due to the presence of nitro groups, avoid storage near strong acids, bases, or reducing agents that could cause decomposition. Maintain storage temperature below 25°C if possible. Use appropriate containment measures to prevent environmental release, considering its Aquatic Acute 1 and Aquatic Chronic 1 classifications. Ensure storage areas have spill containment systems.
What to do in case of contact with (2,4-dinitro-6-octan-3-ylphenyl) methyl carbonate;(2,4-dinitro-6-octan-4-ylphenyl) methyl carbonate?
In case of skin contact, immediately remove contaminated clothing and wash the affected area with plenty of soap and water for at least 15 minutes. For eye contact, rinse immediately with clean water for 15-20 minutes and remove contact lenses if present and easily removable. If inhaled, move the person to fresh air and keep them at rest. If swallowed, do not induce vomiting; rinse mouth with water if conscious. Seek immediate medical attention in all cases of exposure, especially considering the Acute Tox. 4 classification.
How to dispose of (2,4-dinitro-6-octan-3-ylphenyl) methyl carbonate;(2,4-dinitro-6-octan-4-ylphenyl) methyl carbonate appropriately?
Disposal must be conducted through authorized hazardous waste management companies due to its acute toxicity and aquatic toxicity classifications. The substance cannot be disposed of in regular waste streams or sewage systems because of its Aquatic Acute 1 and Aquatic Chronic 1 properties. Small quantities should be absorbed on inert material and collected in appropriate containers. Incineration at high temperatures in specialized facilities is typically the preferred disposal method. Always consult local environmental regulations and waste management authorities before disposal to ensure compliance with applicable laws.
How to transport (2,4-dinitro-6-octan-3-ylphenyl) methyl carbonate;(2,4-dinitro-6-octan-4-ylphenyl) methyl carbonate?
Transportation falls under ADR Class 9 (Miscellaneous dangerous substances), Packing Group III, indicating moderate danger during transport. Use appropriate UN-specification packaging designed for Class 9 materials. Ensure containers are properly labeled with hazard markings, UN numbers, and proper shipping names. Transport vehicles must carry appropriate emergency equipment and documentation. Avoid transport during extreme weather conditions and ensure drivers are trained in hazardous materials handling. Implement measures to prevent environmental release during transport, considering the substance's aquatic toxicity profile.
Is (2,4-dinitro-6-octan-3-ylphenyl) methyl carbonate;(2,4-dinitro-6-octan-4-ylphenyl) methyl carbonate subject to specific regulations?
The substance is subject to CLP regulation classification with Warning signal word and GHS07, GHS09 pictograms. It requires classification as Acute Tox. 4, Aquatic Acute 1, and Aquatic Chronic 1 under European regulations. While not currently listed as SVHC under REACH, it must comply with registration requirements if imported or manufactured above one tonne per year. Users must prepare safety data sheets and implement appropriate risk management measures. Environmental discharge restrictions apply due to its aquatic toxicity classifications, requiring special permits for industrial use.
Where to buy (2,4-dinitro-6-octan-3-ylphenyl) methyl carbonate;(2,4-dinitro-6-octan-4-ylphenyl) methyl carbonate in Europe?
OYSI serves as a reliable European distributor for this specialized chemical compound, offering professional-grade quality and regulatory compliance. As experienced chemical distributors, OYSI provides comprehensive documentation including safety data sheets, certificates of analysis, and regulatory support for industrial customers. The company ensures proper packaging, labeling, and transport arrangements compliant with ADR Class 9 requirements. Contact OYSI directly for availability, technical specifications, and pricing information. Their expertise in hazardous materials distribution ensures safe delivery and regulatory compliance throughout European markets.
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(2,4-dinitro-6-octan-3-ylphenyl) methyl carbonate;(2,4-dinitro-6-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.