(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

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

Our experts support you with application, dosage, and compliance.

Request Consultation

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 multiple hazard classifications. This chemical compound represents a sophisticated mixture combining an aromatic nitro ester, inorganic nitrous acid, and an alkane component. With the molecular formula C18H28N2O6 and a molecular weight of 368.4 g/mol, this substance exhibits significant complexity in its chemical structure and safety profile. The European Chemical Agency has assigned it the EC number 254-408-0, reflecting its regulatory recognition within the European market. The compound's hazard profile is particularly noteworthy, classified as Reproductive Toxicity Category 1B, indicating strong evidence of reproductive harm potential. Additional classifications include Acute Toxicity Category 4, Specific Target Organ Toxicity Repeated Exposure Category 2, along with skin irritation and sensitization properties. The aquatic toxicity classification further emphasizes the need for careful environmental handling. These classifications necessitate the "Danger" signal word and multiple GHS pictograms (GHS08, GHS07, GHS09), indicating serious health hazards, harmful effects, and environmental dangers respectively. Transportation falls under ADR Class 9, designating it as a miscellaneous dangerous substance requiring specialized logistics considerations. The compound shares certain chemical characteristics with related substances such as diphenyldiazene, particularly regarding aromatic nitrogen-containing structures, though each maintains distinct properties and applications. Industrial applications typically involve specialized chemical synthesis processes, pharmaceutical intermediate production, and research applications where its unique combination of functional groups provides specific reactivity profiles. The octane component may contribute to solubility characteristics important in certain formulations. OYSI maintains availability of this specialized chemical compound for qualified industrial customers requiring certified technical-grade materials.

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 CAS number 39300-45-3 and molecular formula C18H28N2O6. This substance has a molecular weight of 368.4 g/mol and represents a combination of three distinct chemical components: a nitrophenyl ester, nitrous acid, and octane. It is classified as a hazardous substance with multiple risk categories including reproductive toxicity and acute toxicity.

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

(2-nitrophenyl) (E)-but-2-enoate;nitrous acid;octane exhibits properties influenced by its three chemical components. The molecular weight is 368.4 g/mol with the molecular formula C18H28N2O6. Specific physical properties such as melting point, boiling point, and solubility depend on the exact composition and ratio of the components. The presence of the octane component suggests some organic solvent characteristics, while the nitrophenyl ester contributes to its chemical reactivity.

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

(2-nitrophenyl) (E)-but-2-enoate;nitrous acid;octane is primarily used in specialized chemical synthesis and research applications. The compound may serve as an intermediate in pharmaceutical manufacturing or as a reagent in organic chemistry processes. Its specific combination of components makes it suitable for particular synthetic pathways where nitrophenyl esters are required. Due to its hazardous classification, its use is typically restricted to professional industrial and laboratory settings with appropriate safety measures.

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

(2-nitrophenyl) (E)-but-2-enoate;nitrous acid;octane requires strict safety precautions due to its Danger signal word and multiple hazard classifications. Personal protective equipment must include chemical-resistant gloves, safety goggles, and protective clothing to prevent skin contact and irritation. Work in well-ventilated areas or under fume hoods to avoid inhalation. Due to its reproductive toxicity (Repr. 1B) and skin sensitization properties, minimize exposure and follow all workplace safety protocols strictly.

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

(2-nitrophenyl) (E)-but-2-enoate;nitrous acid;octane must be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly closed and protected from light and moisture. Due to its hazardous classification, store in designated chemical storage areas with appropriate containment measures. Separate from oxidizing agents and other reactive chemicals. Ensure storage areas have proper fire suppression systems and that containers are clearly labeled with hazard information.

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

Immediate action is required in case of contact with (2-nitrophenyl) (E)-but-2-enoate;nitrous acid;octane due to its skin irritation and sensitization properties. For skin contact, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, rinse immediately with plenty of water for at least 15 minutes. If inhaled, move to fresh air immediately. Seek medical attention promptly, especially given the substance's toxic properties.

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

(2-nitrophenyl) (E)-but-2-enoate;nitrous acid;octane must be disposed of as hazardous waste according to local and national regulations. Contact licensed waste disposal companies specialized in handling toxic and environmentally hazardous materials. Do not discharge into drains, soil, or water bodies due to its aquatic toxicity classification. Ensure proper waste classification codes are used and all documentation is maintained. Small quantities should be collected and stored safely until professional disposal can be arranged.

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 substances), Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling, and documentation according to dangerous goods regulations. Transport vehicles must comply with ADR requirements including proper placarding and emergency equipment. Only trained personnel should handle transportation, and emergency response information must accompany shipments. Ensure packages are properly sealed and labeled with UN identification numbers.

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

(2-nitrophenyl) (E)-but-2-enoate;nitrous acid;octane is subject to multiple regulatory frameworks including REACH registration requirements and CLP classification and labeling regulations in Europe. While it is not currently listed as an SVHC (Substance of Very High Concern), its reproductive toxicity classification (Repr. 1B) subjects it to strict handling and use restrictions. Companies must comply with occupational exposure limits, safety data sheet requirements, and notification obligations when using this substance in industrial processes.

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 to qualified industrial and research customers with proper handling capabilities and regulatory compliance. As a professional chemical distributor, OYSI ensures proper packaging, documentation, and regulatory compliance for this hazardous substance. Contact OYSI directly to discuss availability, specifications, and delivery options for your specific requirements while ensuring all safety and regulatory obligations are met.

Data Sources

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