[4-[(3-anilino-2-cyanoprop-2-enoyl)oxymethyl]cyclohexyl]methyl 3-anilino-2-cyanoprop-2-enoate

C28H28N4O4

CAS147374-67-2
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Warning

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Identification

CAS Number
147374-67-2
EC Number
413-510-7
UN Number
3077
Index Number
608-028-00-0
PubChem CID
154734533

Physical-chemical properties

Molecular Formula
C28H28N4O4
Molar Mass
484.50 g/mol
IUPAC Name
[4-[(3-anilino-2-cyanoprop-2-enoyl)oxymethyl]cyclohexyl]methyl 3-anilino-2-cyanoprop-2-enoate

Chemical Identifiers

InChI
InChI=1S/C28H28N4O4/c29-15-23(17-31-25-7-3-1-4-8-25)27(33)35-19-21-11-13-22(14-12-21)20-36-28(34)24(16-30)18-32-26-9-5-2-6-10-26/h1-10,17-18,21-22,31-32H,11-14,19-20H2
InChI Key
DWWJUMHSTRIKBU-UHFFFAOYSA-N

Overview

[4-[(3-anilino-2-cyanoprop-2-enoyl)oxymethyl]cyclohexyl]methyl 3-anilino-2-cyanoprop-2-enoate (CAS 147374-67-2) is a complex organic diester compound featuring dual anilino-cyanoacrylate functional groups linked by a cyclohexyl bridge. This specialized chemical compound, registered under EC number 413-510-7, represents an advanced synthetic molecule with a molecular weight of 484.5 g/mol and molecular formula C28H28N4O4. The structure incorporates two identical 3-anilino-2-cyanoprop-2-enoate moieties connected through a 1,4-cyclohexanedimethanol linker, creating a symmetrical bis-ester architecture. This unique structural design imparts distinctive properties that make it valuable for specific industrial applications requiring dual-reactive functionality. From a safety perspective, this compound is classified under multiple hazard categories including STOT RE 2, indicating potential organ toxicity through repeated exposure, Skin Sens. 1 for skin sensitization properties, and Aquatic Chronic 2 for environmental concerns. The substance requires careful handling protocols and carries GHS08, GHS07, and GHS09 pictograms with a "Warning" signal word. Transportation falls under ADR Class 9 for miscellaneous dangerous substances. The compound finds primary applications in advanced polymer synthesis, particularly in formulations requiring controlled crosslinking mechanisms. Its dual cyanoacrylate functionality makes it valuable for specialty adhesive systems and UV-curable coatings where enhanced mechanical properties are essential. Unlike simpler aromatic compounds such as 1,4-dichlorobenzene, this molecule offers sophisticated reactivity profiles suitable for high-performance materials applications. Industrial uses include specialty electronic materials, advanced composite manufacturing, and precision bonding applications where traditional single-functional compounds prove insufficient. The aniline-derived groups provide aromatic character while the cyanoacrylate moieties ensure rapid curing capabilities. OYSI maintains reliable supply chains for this specialized compound, ensuring consistent availability for European technical applications requiring this advanced chemical intermediate.

Safety & Classification

Warning
Classification:

STOT RE 2 *; Skin Sens. 1; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H373

May cause damage to organs through prolonged or repeated exposure.

H317

May cause an allergic skin reaction.

H411

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

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:

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-(2-Cyano-3-phenylamino)-acryloyloxy-methyl-cyclohexyl-methyl-2-cyano-3-phenylamino)-acrylat
Marine PollutantNo

Frequently Asked Questions

What is 4-[(3-anilino-2-cyanoprop-2-enoyl)oxymethyl]cyclohexyl]methyl 3-anilino-2-cyanoprop-2-enoate?

4-[(3-anilino-2-cyanoprop-2-enoyl)oxymethyl]cyclohexyl]methyl 3-anilino-2-cyanoprop-2-enoate is an organic chemical compound with CAS number 147374-67-2 and molecular formula C28H28N4O4. This substance has a molecular weight of 484.5 g/mol and belongs to the class of cyanoacrylate derivatives. It contains multiple functional groups including cyano, ester, and aniline moieties, making it a complex organic molecule with specific industrial applications.

What are the physicochemical properties of 4-[(3-anilino-2-cyanoprop-2-enoyl)oxymethyl]cyclohexyl]methyl 3-anilino-2-cyanoprop-2-enoate?

This compound is a solid organic substance with a molecular weight of 484.5 g/mol and molecular formula C28H28N4O4. As a cyanoacrylate derivative, it typically appears as a crystalline or powder form at room temperature. The presence of multiple aromatic rings and polar functional groups influences its solubility characteristics. Specific physical properties such as melting point, boiling point, and exact solubility data should be verified through technical documentation.

What is 4-[(3-anilino-2-cyanoprop-2-enoyl)oxymethyl]cyclohexyl]methyl 3-anilino-2-cyanoprop-2-enoate used for?

This compound is primarily used as an intermediate in chemical synthesis and manufacturing processes. Given its cyanoacrylate-based structure, it may serve applications in polymer chemistry, adhesive formulations, or as a building block for more complex chemical products. Its multiple functional groups make it valuable for cross-linking reactions and specialty chemical applications. Specific end-uses depend on the particular industrial sector and manufacturing requirements.

How to handle 4-[(3-anilino-2-cyanoprop-2-enoyl)oxymethyl]cyclohexyl]methyl 3-anilino-2-cyanoprop-2-enoate safely?

Safe handling requires appropriate personal protective equipment due to its Skin Sens. 1 and STOT RE 2 classifications. Wear chemical-resistant gloves, safety goggles, and protective clothing to prevent skin contact. Ensure adequate ventilation to minimize inhalation exposure. Avoid generating dust or aerosols during handling. Use in well-ventilated areas or under fume hoods. Follow good industrial hygiene practices and wash hands thoroughly after handling.

How to store 4-[(3-anilino-2-cyanoprop-2-enoyl)oxymethyl]cyclohexyl]methyl 3-anilino-2-cyanoprop-2-enoate correctly?

Store this compound in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Keep containers tightly closed when not in use to prevent contamination and degradation. Due to its organic nature, store away from strong oxidizing agents and incompatible materials. Maintain storage temperatures according to manufacturer specifications and ensure proper labeling with hazard warnings. Regular inventory checks help monitor container integrity and product stability.

What to do in case of contact with 4-[(3-anilino-2-cyanoprop-2-enoyl)oxymethyl]cyclohexyl]methyl 3-anilino-2-cyanoprop-2-enoate?

Immediate action is required due to the skin sensitization potential (Skin Sens. 1). For skin contact, remove contaminated clothing and wash affected area immediately with plenty of soap and water for at least 15 minutes. For eye contact, flush with clean water for 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. If ingested, do not induce vomiting and seek medical advice promptly. Contact emergency services if severe symptoms develop.

How to dispose of 4-[(3-anilino-2-cyanoprop-2-enoyl)oxymethyl]cyclohexyl]methyl 3-anilino-2-cyanoprop-2-enoate appropriately?

Disposal must comply with local, national, and EU waste regulations due to its hazardous classification. This compound cannot be disposed of with regular waste and requires treatment as hazardous chemical waste. Contact licensed waste disposal companies for proper treatment and disposal. Consider recovery or recycling options where feasible. Empty containers should also be handled as hazardous waste unless properly cleaned according to regulatory requirements.

How to transport 4-[(3-anilino-2-cyanoprop-2-enoyl)oxymethyl]cyclohexyl]methyl 3-anilino-2-cyanoprop-2-enoyl correctly?

This substance is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III, indicating moderate transport hazard. Use appropriate packaging that meets UN specification requirements for Class 9 materials. Proper shipping documentation including dangerous goods declarations must accompany shipments. Ensure packages are correctly labeled with hazard markings and orientation arrows where required. Transport vehicles must comply with ADR regulations for Class 9 substances.

Is 4-[(3-anilino-2-cyanoprop-2-enoyl)oxymethyl]cyclohexyl]methyl 3-anilino-2-cyanoprop-2-enoate subject to specific regulations?

This compound is subject to EU REACH regulation for chemical registration and safety assessment, though it is not currently identified as a Substance of Very High Concern (SVHC). It must comply with CLP regulation for classification, labeling, and packaging with Warning signal word and appropriate GHS pictograms (GHS07, GHS08, GHS09). Companies handling this substance must ensure proper registration, safety data sheets, and workplace exposure assessments according to applicable chemical legislation.

Where to buy 4-[(3-anilino-2-cyanoprop-2-enoyl)oxymethyl]cyclohexyl]methyl 3-anilino-2-cyanoprop-2-enoate in Europe?

OYSI serves as a reliable European distributor for this specialized chemical compound. As an established chemical distributor, OYSI provides this substance with proper documentation, safety data sheets, and regulatory compliance for European markets. Contact OYSI directly for availability, specifications, and delivery options across Europe. Professional chemical distributors like OYSI ensure proper handling, packaging, and transportation according to ADR and other applicable regulations.

Services for [4-[(3-anilino-2-cyanoprop-2-enoyl)oxymethyl]cyclohexyl]methyl 3-anilino-2-cyanoprop-2-enoate

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[4-[(3-anilino-2-cyanoprop-2-enoyl)oxymethyl]cyclohexyl]methyl 3-anilino-2-cyanoprop-2-enoate 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.