(2-nitrophenyl) (E)-but-2-enoate;nitrous acid;octane

C18H28N2O6

CAS39300-45-3
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
39300-45-3
EC Number
254-408-0
UN Number
3082
Index Number
609-023-00-6
PubChem CID
156614068

Physical-chemical properties

Molecular Formula
C18H28N2O6
Molar Mass
368.40 g/mol
IUPAC Name
(2-nitrophenyl) (E)-but-2-enoate;nitrous acid;octane

Chemical Identifiers

InChI
InChI=1S/C10H9NO4.C8H18.HNO2/c1-2-5-10(12)15-9-7-4-3-6-8(9)11(13)14;1-3-5-7-8-6-4-2;2-1-3/h2-7H,1H3;3-8H2,1-2H3;(H,2,3)/b5-2+;;
InChI Key
ZVJZHLVSRSKTNE-OPIVVEOKSA-N

Overview

(2-nitrophenyl) (E)-but-2-enoate;nitrous acid;octane (CAS 39300-45-3) is a complex chemical mixture with reproductive toxicity and skin sensitization properties. This chemical compound represents a sophisticated mixture combining an aromatic nitro ester, nitrous acid, and an aliphatic hydrocarbon. With the molecular formula C18H28N2O6 and a molecular weight of 368.4 g/mol, this substance exhibits significant hazard properties that require careful handling and specialized knowledge for safe industrial use. The compound is classified under EC number 254-408-0 and falls under ADR transport class 9, indicating it requires specific shipping and storage protocols. The substance presents multiple safety concerns, as indicated by its classification as Reproductive Category 1B, Acute Toxicity Category 4, and Specific Target Organ Toxicity Category 2. The presence of GHS08, GHS07, and GHS09 pictograms with the signal word "Danger" emphasizes the need for comprehensive risk management strategies. The compound exhibits skin irritation and sensitization properties, along with aquatic toxicity, making environmental protection measures essential during handling and disposal. In industrial applications, this chemical mixture finds use in specialized synthetic processes and as an intermediate in pharmaceutical manufacturing. Its complex structure makes it valuable in research applications where specific reactivity patterns are required. Like other nitro-containing compounds such as 4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline, it requires expert handling due to its hazardous nature. OYSI provides this technical chemical to qualified industrial customers with comprehensive safety documentation and regulatory compliance support throughout Europe.

Safety & Classification

Danger
Classification:

Repr. 1B; Acute Tox. 4 *; Acute Tox. 4 *; STOT RE 2 *; Skin Irrit. 2; Skin Sens. 1; Aquatic Acute...

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H332

Harmful if inhaled.

H302

Harmful if swallowed.

H373

May cause damage to organs through prolonged or repeated exposure.

H315

Causes skin irritation.

H317

May cause an allergic skin reaction.

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

Inhalation

Harmful

Measures if vapours or dust are inhaled

First Aid Actions

  • +P304IF INHALED:
  • +P340Remove person to fresh air and keep comfortable for breathing.
  • +P311Call a POISON CENTER/doctor.

Related hazard statements:

Skin Contact

Irritant

Measures if substance contacts the skin

First Aid Actions

  • +P302IF ON SKIN:
  • +P352Wash with plenty of water.
  • +P361Take off immediately all contaminated clothing.
  • +P313Get medical advice/attention.

Related hazard statements:

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 Number3082
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameDinocap (ISO)
Marine PollutantNo

Frequently Asked Questions

What is (2-nitrophenyl) (E)-but-2-enoate;nitrous acid;octane?

(2-nitrophenyl) (E)-but-2-enoate;nitrous acid;octane is a complex chemical compound with the molecular formula C18H28N2O6 and CAS number 39300-45-3. This substance has a molecular weight of 368.4 g/mol and is classified as hazardous with multiple danger classes including reproductive toxicity (Repr. 1B), acute toxicity, skin irritation, and environmental hazards. It requires careful handling due to its significant health and environmental risks.

What are the physicochemical properties of (2-nitrophenyl) (E)-but-2-enoate;nitrous acid;octane?

(2-nitrophenyl) (E)-but-2-enoate;nitrous acid;octane is a chemical compound with a molecular mass of 368.4 g/mol and molecular formula C18H28N2O6. The substance contains multiple functional groups including nitrophenyl, butenoate ester, and alkane components. Specific physical properties such as melting point, boiling point, and solubility data would require detailed material safety data sheets for precise characterization of this complex mixture.

What is (2-nitrophenyl) (E)-but-2-enoate;nitrous acid;octane used for?

(2-nitrophenyl) (E)-but-2-enoate;nitrous acid;octane is typically used in specialized chemical synthesis and research applications. Given its complex structure containing nitrophenyl and ester functional groups, it may serve as an intermediate in pharmaceutical synthesis, specialty chemical manufacturing, or as a research reagent. The specific applications depend on the intended use of each component within the mixture for particular industrial or laboratory processes.

How to handle (2-nitrophenyl) (E)-but-2-enoate;nitrous acid;octane safely?

(2-nitrophenyl) (E)-but-2-enoate;nitrous acid;octane must be handled with extreme caution due to its Danger signal word and multiple hazard classifications. Essential PPE includes chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to prevent inhalation. Avoid skin and eye contact, and prevent environmental release. Follow strict hygiene protocols and ensure proper training before handling this reproductive toxicant and sensitizing substance.

How to store (2-nitrophenyl) (E)-but-2-enoate;nitrous acid;octane correctly?

(2-nitrophenyl) (E)-but-2-enoate;nitrous acid;octane should be stored in a cool, dry, well-ventilated area away from incompatible materials. Use original containers with proper labeling and secondary containment to prevent leaks. Store separately from oxidizing agents, strong acids, and bases. Implement restricted access due to reproductive toxicity concerns and maintain temperature control to prevent degradation. Regular inspection of containers and proper inventory management are essential for safe storage.

What to do in case of contact with (2-nitrophenyl) (E)-but-2-enoate;nitrous acid;octane?

Immediate action is required for contact with (2-nitrophenyl) (E)-but-2-enoate;nitrous acid;octane. For skin contact, remove contaminated clothing and rinse affected area with plenty of water for at least 15 minutes. In case of eye contact, flush immediately with water and seek medical attention. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention. Always consult emergency services for exposure incidents.

How to dispose of (2-nitrophenyl) (E)-but-2-enoate;nitrous acid;octane properly?

(2-nitrophenyl) (E)-but-2-enoate;nitrous acid;octane must be disposed of as hazardous waste through licensed waste management companies. Due to its reproductive toxicity and environmental hazards, it cannot be disposed of in regular waste streams. Follow local and European waste regulations including proper classification, packaging, and documentation. Incineration at licensed facilities or specialized chemical treatment may be required depending on local regulations and waste composition.

How to transport (2-nitrophenyl) (E)-but-2-enoate;nitrous acid;octane?

(2-nitrophenyl) (E)-but-2-enoate;nitrous acid;octane is classified under ADR Class 9 (Miscellaneous dangerous goods), Packing Group III. Transportation requires proper dangerous goods packaging, labeling with appropriate hazard placards, and documentation including transport documents. Drivers must have ADR certification for Class 9 materials. Vehicles should be equipped with appropriate emergency equipment and follow routing restrictions for hazardous materials transport within Europe.

Is (2-nitrophenyl) (E)-but-2-enoate;nitrous acid;octane subject to specific regulations?

(2-nitrophenyl) (E)-but-2-enoate;nitrous acid;octane is subject to European REACH regulation requiring registration and safety data sheets. Under CLP regulation, it must be classified and labeled according to its hazard profile including reproductive toxicity warnings. While not currently listed as SVHC, its Repr. 1B classification requires special handling procedures and may be subject to authorization requirements. Additional workplace exposure limits and environmental monitoring may apply under national regulations.

Where to buy (2-nitrophenyl) (E)-but-2-enoate;nitrous acid;octane in Europe?

(2-nitrophenyl) (E)-but-2-enoate;nitrous acid;octane is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound with full regulatory compliance including proper documentation, safety data sheets, and appropriate packaging for safe delivery. As a professional chemical supplier, OYSI ensures quality standards and regulatory compliance for industrial and research applications throughout Europe while maintaining proper handling and storage protocols.

Data Sources

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