(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 acute toxicity and aquatic environmental hazard properties. This specialized chemical compound represents a complex organic molecule featuring both dinitrophenyl and carbonate functional groups within its molecular structure. With a molecular formula of C32H44N4O14 and molecular weight of 708.7 g/mol, this substance exhibits unique chemical characteristics that make it valuable for specific industrial applications. The compound exists as a mixture of two closely related isomers, differing in the position of the octyl chain attachment on the phenyl ring. The presence of nitro groups at positions 2 and 6 on the phenyl ring significantly influences the compound's reactivity and stability profile. These electron-withdrawing groups enhance the electrophilic nature of the aromatic system, while the methyl carbonate functionality provides specific chemical reactivity patterns. The long octyl chains contribute to the compound's lipophilic properties and influence its solubility characteristics. From a safety perspective, this material is classified as Acute Toxicity Category 4 with a Warning signal word, requiring appropriate handling precautions. The compound poses significant environmental concerns, classified as Aquatic Acute 1 and Aquatic Chronic 1, indicating high toxicity to aquatic organisms with long-lasting effects. Transport regulations classify it under ADR Class 9 (miscellaneous dangerous substances), necessitating specialized shipping procedures. Industrial applications typically involve its use as a chemical intermediate in organic synthesis, particularly in the development of specialty polymers and advanced materials. The compound may also serve as a precursor in pharmaceutical chemistry, where its unique structural features provide specific synthetic pathways. Like related compounds such as 2-N,4-N-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine, it finds application in specialized chemical manufacturing processes. OYSI maintains reliable supply chains for this technical-grade chemical compound, ensuring consistent availability for European industrial customers requiring high-purity specialty chemicals.
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 a complex organic chemical compound with CAS number 63919-26-6. This substance has a molecular formula of C32H44N4O14 and a molecular weight of 708.7 g/mol. It contains dinitrophenyl groups combined with octyl chains and methyl carbonate functionalities, making it a specialized chemical intermediate used in various industrial applications.
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 is a large organic molecule with significant molecular complexity due to its dinitrophenyl and octyl substituents. The presence of nitro groups and carbonate functionalities influences its chemical reactivity and stability. The compound's physicochemical properties are determined by its molecular structure, which includes both hydrophobic octyl chains and polar nitro and carbonate groups, affecting its solubility and interaction with other substances.
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 used as a specialized chemical intermediate in organic synthesis and industrial applications. Its unique molecular structure, featuring dinitrophenyl groups and carbonate functionalities, makes it valuable for specific chemical transformations and manufacturing processes. The compound may serve as a precursor for more complex molecules or as a functional additive in specialized formulations requiring its particular chemical properties.
How to safely handle (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 requires careful handling due to its Acute Tox. 4 classification. Personal protective equipment including gloves, safety goggles, and appropriate clothing should be worn. Work in well-ventilated areas and avoid direct contact with skin, eyes, and inhalation. Given its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1), prevent release to the environment and follow proper containment procedures during use.
How to properly store (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 should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from incompatible materials. Keep away from heat sources, direct sunlight, and moisture. Due to its environmental hazard classification, storage areas must have appropriate containment measures to prevent environmental release. Ensure proper labeling with GHS07 and GHS09 pictograms and maintain storage temperatures within recommended ranges.
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?
Contact with (2,6-dinitro-4-octan-3-ylphenyl) methyl carbonate;(2,6-dinitro-4-octan-4-ylphenyl) methyl carbonate requires immediate first aid measures. For skin contact, wash immediately with plenty of water and soap, remove contaminated clothing. In case of eye contact, flush thoroughly with water for at least 15 minutes. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek medical attention immediately. Given its Acute Tox. 4 classification, prompt medical evaluation is recommended for all significant exposures.
How to properly dispose 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 must be disposed of through licensed hazardous waste disposal facilities due to its toxicity and environmental hazard classifications. The substance cannot be released to the environment given its Aquatic Acute 1 and Aquatic Chronic 1 classifications. Follow local and national regulations for hazardous waste disposal, ensure proper waste classification codes are used, and maintain disposal documentation for regulatory compliance.
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 under ADR Class 9 (Miscellaneous dangerous substances), Packing Group III. Transportation requires appropriate UN-specification packaging, proper labeling with Class 9 hazard labels, and shipping documentation including dangerous goods declarations. Vehicles must comply with ADR regulations for Class 9 substances, and drivers require appropriate dangerous goods training certification for this classification.
Is (2,6-dinitro-4-octan-3-ylphenyl) methyl carbonate;(2,6-dinitro-4-octan-4-ylphenyl) methyl carbonate subject to specific regulations?
(2,6-dinitro-4-octan-3-ylphenyl) methyl carbonate;(2,6-dinitro-4-octan-4-ylphenyl) methyl carbonate is subject to REACH registration requirements in Europe and CLP classification as Acute Tox. 4, Aquatic Acute 1, and Aquatic Chronic 1. The substance is not currently listed as a SVHC (Substance of Very High Concern). Compliance with environmental protection regulations is mandatory due to its aquatic toxicity classifications, and workplace exposure limits and safety measures must follow occupational health and safety regulations.
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 specialized European distributor of technical chemicals. OYSI provides this compound to industrial customers requiring high-quality chemical intermediates for their manufacturing processes. As an established chemical distributor, OYSI ensures proper regulatory compliance, quality documentation, and safe packaging for this specialized substance. Contact OYSI directly for availability, technical specifications, and procurement requirements for your specific application needs.
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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.