(2,4-dinitro-6-octan-3-ylphenyl) methyl carbonate;(2,4-dinitro-6-octan-4-ylphenyl) methyl carbonate

C32H44N4O14

CAS8069-76-9
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Warning

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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;(2,4-dinitro-6-octan-4-ylphenyl) methyl carbonate (CAS 8069-76-9) is a dinitrophenyl carbonate compound with significant environmental toxicity and moderate acute toxicity properties. This complex organic compound represents a mixture of two closely related dinitrophenyl methyl carbonate isomers, each bearing different octyl chain configurations at the 6-position of the benzene ring. With a molecular formula of C32H44N4O14 and a molecular weight of 708.7 g/mol, this substance belongs to the family of nitroaromatic carbonate esters that exhibit distinctive chemical reactivity patterns due to their electron-withdrawing nitro groups and carbonate functionality. The compound is classified under ADR Class 9 (miscellaneous dangerous substances) and carries GHS07 and GHS09 pictograms, indicating both health hazards and environmental dangers. Its classification as Acute Tox. 4 suggests moderate acute toxicity, while the Aquatic Acute 1 and Aquatic Chronic 1 classifications highlight its significant environmental impact on aquatic ecosystems, requiring careful handling and disposal protocols. The presence of multiple nitro groups on the aromatic ring makes this compound chemically distinct from related structures such as 2-N,4-N-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine, though both share applications in specialized chemical synthesis. The carbonate ester functionality provides unique reactivity characteristics that make it valuable in organic synthesis applications, particularly as an intermediate in pharmaceutical manufacturing, specialty polymer production, and advanced materials development. Due to its environmental classification, this compound requires specialized storage conditions and waste management procedures. OYSI maintains availability of this technical-grade chemical compound for qualified industrial customers requiring high-purity specialty reagents.

Safety & Classification

Warning
Classification:

Acute Tox. 4 *; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H400

Very toxic to aquatic life.

H410

Very toxic to aquatic life with long lasting effects.

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

Harmful

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Name4,6-Dinitro-2-(3-octyl)phenylmethylcarbonat + 4,6-Dinitro-2-(4-octyl)phenylmethylcarbonat, Gemisch
Marine PollutantNo

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 CAS number 8069-76-9. This substance features a molecular formula of C32H44N4O14 and has a molecular weight of 708.7 g/mol. It contains dinitro-substituted phenyl 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 (2,4-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 compound with significant molecular weight of 708.7 g/mol. The presence of multiple nitro groups, aromatic rings, and carbonate functionalities suggests limited water solubility and likely solid or viscous liquid state at room temperature. The compound's structure indicates potential UV absorption properties due to the conjugated aromatic system with electron-withdrawing nitro substituents.

What is (2,4-dinitro-6-octan-3-ylphenyl) methyl carbonate;(2,4-dinitro-6-octan-4-ylphenyl) methyl carbonate used for?

(2,4-dinitro-6-octan-3-ylphenyl) methyl carbonate;(2,4-dinitro-6-octan-4-ylphenyl) methyl carbonate is primarily used as a chemical intermediate in organic synthesis and specialized industrial applications. Its complex structure with dinitro aromatic groups and carbonate functionalities makes it suitable for use in polymer chemistry, specialty coatings, or as a precursor for other fine chemicals. The compound may also find applications in research and development of advanced materials.

How to handle (2,4-dinitro-6-octan-3-ylphenyl) methyl carbonate;(2,4-dinitro-6-octan-4-ylphenyl) methyl carbonate safely?

(2,4-dinitro-6-octan-3-ylphenyl) methyl carbonate;(2,4-dinitro-6-octan-4-ylphenyl) methyl carbonate requires careful handling due to its Acute Tox. 4 classification. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and laboratory coats. Work should be conducted in well-ventilated areas or under fume hoods. Avoid skin and eye contact, and prevent inhalation. Use appropriate tools to minimize direct contact and ensure proper training before handling this substance.

How to store (2,4-dinitro-6-octan-3-ylphenyl) methyl carbonate;(2,4-dinitro-6-octan-4-ylphenyl) methyl carbonate correctly?

(2,4-dinitro-6-octan-3-ylphenyl) methyl carbonate;(2,4-dinitro-6-octan-4-ylphenyl) methyl carbonate should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Due to its environmental hazard classification (Aquatic Acute 1, Chronic 1), prevent release to the environment. Store separately from oxidizing agents and bases. Maintain proper labeling and ensure containers are made of compatible materials resistant to the chemical.

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?

Immediate first aid measures for (2,4-dinitro-6-octan-3-ylphenyl) methyl carbonate;(2,4-dinitro-6-octan-4-ylphenyl) methyl carbonate exposure include thorough rinsing with plenty of water. For skin contact, remove contaminated clothing and wash affected area with soap and water for at least 15 minutes. In case of eye contact, flush immediately with water for 15 minutes while holding eyelids open. If inhaled, move to fresh air. Seek medical attention if symptoms persist or for significant exposures.

How to dispose of (2,4-dinitro-6-octan-3-ylphenyl) methyl carbonate;(2,4-dinitro-6-octan-4-ylphenyl) methyl carbonate properly?

(2,4-dinitro-6-octan-3-ylphenyl) methyl carbonate;(2,4-dinitro-6-octan-4-ylphenyl) methyl carbonate must be disposed of through authorized hazardous waste disposal facilities due to its environmental toxicity classification. The substance cannot be released to sewers, soil, or waterways given its Aquatic Acute 1 and Chronic 1 classifications. Contact licensed waste management companies specializing in chemical disposal. Follow all local, national, and EU regulations regarding hazardous waste handling and documentation requirements.

How to transport (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 classified as ADR Class 9 (Miscellaneous Dangerous Goods), Packing Group III. This classification requires appropriate packaging, labeling with Class 9 hazard labels, and proper shipping documentation. Transport vehicles must carry appropriate emergency equipment and drivers need ADR certification. The substance requires environmentally sound packaging due to its aquatic toxicity classification and must comply with all ADR regulations for Class 9 substances.

Is (2,4-dinitro-6-octan-3-ylphenyl) methyl carbonate;(2,4-dinitro-6-octan-4-ylphenyl) methyl carbonate subject to specific regulations?

(2,4-dinitro-6-octan-3-ylphenyl) methyl carbonate;(2,4-dinitro-6-octan-4-ylphenyl) methyl carbonate is subject to EU REACH regulation requiring registration for import/manufacture above certain tonnages. The substance is classified under CLP regulation with specific hazard classifications (Acute Tox. 4, Aquatic Acute 1, Chronic 1). It is not currently listed as a Substance of Very High Concern (SVHC). Companies must comply with safety data sheet requirements, classification and labeling obligations, and proper risk management measures.

Where to buy (2,4-dinitro-6-octan-3-ylphenyl) methyl carbonate;(2,4-dinitro-6-octan-4-ylphenyl) methyl carbonate in Europe?

(2,4-dinitro-6-octan-3-ylphenyl) methyl carbonate;(2,4-dinitro-6-octan-4-ylphenyl) methyl carbonate is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this substance to qualified industrial customers with appropriate handling capabilities and regulatory compliance. As a professional chemical distributor, OYSI ensures proper documentation, safety data sheets, and regulatory compliance for all shipments. Contact OYSI directly for availability, technical specifications, and purchasing requirements for this specialized chemical compound.

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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.

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Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.