N-[2-[(3-acetyl-5-nitrothiophen-2-yl)diazenyl]-6-(diethylamino)phenyl]acetamide

C18H21N5O4S

CAS777891-21-1
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Warning

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Identification

CAS Number
777891-21-1
EC Number
416-860-9
UN Number
3077
Index Number
616-117-00-0
PubChem CID
165342839

Physical-chemical properties

Molecular Formula
C18H21N5O4S
Molar Mass
403.50 g/mol
IUPAC Name
N-[2-[(3-acetyl-5-nitrothiophen-2-yl)diazenyl]-6-(diethylamino)phenyl]acetamide

Chemical Identifiers

InChI
InChI=1S/C18H21N5O4S/c1-5-22(6-2)15-9-7-8-14(17(15)19-12(4)25)20-21-18-13(11(3)24)10-16(28-18)23(26)27/h7-10H,5-6H2,1-4H3,(H,19,25)
InChI Key
SMZFVOWVDVAHRV-UHFFFAOYSA-N

Overview

N-[2-[(3-acetyl-5-nitrothiophen-2-yl)diazenyl]-6-(diethylamino)phenyl]acetamide (CAS 777891-21-1) is an azo compound featuring thiophene and diethylamino functional groups with specialized chemical properties. This complex organic molecule with the molecular formula C18H21N5O4S represents a sophisticated example of azo chemistry, incorporating multiple functional groups that contribute to its unique characteristics. The compound features a molecular weight of 403.5 g/mol and combines an azo linkage (-N=N-) with acetyl, nitrothiophene, and diethylamino substituents, creating a structurally diverse chemical entity with specific industrial applications. The safety profile of this substance requires careful consideration, as it is classified under CLP regulation with reproductive toxicity category 2, skin sensitization category 1, and acute and chronic aquatic toxicity category 1. The GHS pictograms GHS08, GHS07, and GHS09 along with the warning signal word indicate the need for appropriate handling procedures and environmental protection measures. Transportation falls under ADR class 9, designating it as a miscellaneous dangerous substance requiring specific logistics protocols. From a chemical perspective, this azo compound shares certain structural characteristics with other specialized industrial chemicals, though it differs significantly from simpler aromatic compounds like 1,4-dichlorobenzene in terms of complexity and application scope. The presence of the thiophene ring system and diethylamino group provides unique electronic properties that distinguish it from more conventional aromatic sulfonamides such as 6-amino-N-methylnaphthalene-2-sulfonamide. Primary industrial applications include use as an intermediate in organic synthesis, particularly in the production of specialized dyes and pigments, as well as in research and development applications requiring specific azo chemistry functionalities. The compound also finds application in analytical chemistry as a reagent for specialized detection methods. OYSI maintains availability of this specialized chemical compound for qualified industrial customers requiring high-purity materials for technical applications.

Safety & Classification

Warning
Classification:

Repr. 2; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

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

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 NameN-[2-(3-Acetyl-5-nitrothiophen-2-ylazo)-5-diethylaminophenyl]acetamid
Marine PollutantNo

Frequently Asked Questions

What is N-[2-[(3-acetyl-5-nitrothiophen-2-yl)diazenyl]-6-(diethylamino)phenyl]acetamide?

N-[2-[(3-acetyl-5-nitrothiophen-2-yl)diazenyl]-6-(diethylamino)phenyl]acetamide is an organic compound with the molecular formula C18H21N5O4S and CAS number 777891-21-1. This complex molecule has a molecular weight of 403.5 g/mol and features a thiophene ring system connected to an aniline derivative through an azo linkage. The compound contains multiple functional groups including acetyl, nitro, diazenyl, and diethylamino substituents, making it a sophisticated chemical intermediate.

What are the physicochemical properties of N-[2-[(3-acetyl-5-nitrothiophen-2-yl)diazenyl]-6-(diethylamino)phenyl]acetamide?

N-[2-[(3-acetyl-5-nitrothiophen-2-yl)diazenyl]-6-(diethylamino)phenyl]acetamide is a solid compound at room temperature with a molecular weight of 403.5 g/mol. The presence of the azo linkage and aromatic systems typically imparts color to such compounds. The molecule contains both hydrophilic groups (acetamide, nitro) and lipophilic aromatic systems, affecting its solubility profile. The thiophene and aniline moieties contribute to its chemical reactivity and stability characteristics.

What is N-[2-[(3-acetyl-5-nitrothiophen-2-yl)diazenyl]-6-(diethylamino)phenyl]acetamide used for?

N-[2-[(3-acetyl-5-nitrothiophen-2-yl)diazenyl]-6-(diethylamino)phenyl]acetamide is primarily used as a chemical intermediate in organic synthesis and pharmaceutical research. Its complex structure with multiple functional groups makes it valuable for developing new compounds and studying structure-activity relationships. The compound may serve as a building block in the synthesis of more complex molecules or as a research tool in medicinal chemistry applications.

How to handle N-[2-[(3-acetyl-5-nitrothiophen-2-yl)diazenyl]-6-(diethylamino)phenyl]acetamide safely?

N-[2-[(3-acetyl-5-nitrothiophen-2-yl)diazenyl]-6-(diethylamino)phenyl]acetamide requires careful handling due to its classification as Skin Sens. 1 and Repr. 2. Use appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to avoid inhalation. Prevent skin contact and implement good hygiene practices. The compound carries GHS08, GHS07, and GHS09 pictograms, indicating health and environmental hazards requiring special precautions.

How to store N-[2-[(3-acetyl-5-nitrothiophen-2-yl)diazenyl]-6-(diethylamino)phenyl]acetamide properly?

N-[2-[(3-acetyl-5-nitrothiophen-2-yl)diazenyl]-6-(diethylamino)phenyl]acetamide should be stored in a cool, dry place away from direct sunlight and heat sources. Keep containers tightly closed to prevent moisture absorption and contamination. Store in dedicated chemical storage areas with appropriate ventilation and secondary containment. Given its reproductive toxicity classification and skin sensitization potential, ensure restricted access and proper labeling. Avoid storage near incompatible materials and maintain inventory records for regulatory compliance.

What to do in case of contact with N-[2-[(3-acetyl-5-nitrothiophen-2-yl)diazenyl]-6-(diethylamino)phenyl]acetamide?

In case of skin contact with N-[2-[(3-acetyl-5-nitrothiophen-2-yl)diazenyl]-6-(diethylamino)phenyl]acetamide, immediately remove contaminated clothing and wash the affected area with plenty of water for at least 15 minutes. For eye contact, rinse thoroughly with water for several minutes. If inhaled, move to fresh air immediately. Given the compound's classification as Skin Sens. 1 and Repr. 2, seek medical attention promptly, especially if irritation develops or exposure is significant.

How to dispose of N-[2-[(3-acetyl-5-nitrothiophen-2-yl)diazenyl]-6-(diethylamino)phenyl]acetamide appropriately?

N-[2-[(3-acetyl-5-nitrothiophen-2-yl)diazenyl]-6-(diethylamino)phenyl]acetamide must be disposed of through licensed hazardous waste contractors due to its environmental classification (Aquatic Acute 1; Aquatic Chronic 1). Do not discharge to sewers, waterways, or soil. Package waste in appropriate containers with proper labeling including waste codes and hazard information. Incineration at authorized facilities is typically required for organic compounds with these hazard classifications. Consult local environmental authorities for specific disposal requirements and documentation.

How to transport N-[2-[(3-acetyl-5-nitrothiophen-2-yl)diazenyl]-6-(diethylamino)phenyl]acetamide?

N-[2-[(3-acetyl-5-nitrothiophen-2-yl)diazenyl]-6-(diethylamino)phenyl]acetamide is classified as ADR Class 9, Packing Group III for transportation. This classification covers miscellaneous dangerous substances with relatively lower risk level. Use appropriate packaging that meets UN specification requirements for Class 9 materials. Ensure proper labeling with UN number, hazard labels, and shipping documentation. Vehicles must comply with ADR requirements for Class 9 substances, and drivers need appropriate training and certification for hazardous materials transport.

Is N-[2-[(3-acetyl-5-nitrothiophen-2-yl)diazenyl]-6-(diethylamino)phenyl]acetamide subject to specific regulations?

N-[2-[(3-acetyl-5-nitrothiophen-2-yl)diazenyl]-6-(diethylamino)phenyl]acetamide is subject to REACH and CLP regulations in Europe but is not classified as a Substance of Very High Concern (SVHC). Its hazard classifications (Repr. 2, Skin Sens. 1, Aquatic toxicity) require specific labeling, safety data sheets, and risk management measures. Companies must ensure proper registration under REACH for quantities above tonnage thresholds and implement appropriate risk management throughout the supply chain.

Where to buy N-[2-[(3-acetyl-5-nitrothiophen-2-yl)diazenyl]-6-(diethylamino)phenyl]acetamide in Europe?

N-[2-[(3-acetyl-5-nitrothiophen-2-yl)diazenyl]-6-(diethylamino)phenyl]acetamide is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides comprehensive regulatory support, proper documentation, and ensures compliance with European chemical regulations including REACH and CLP. As a professional chemical distributor, OYSI can supply this specialized compound with appropriate safety data sheets, certificates of analysis, and technical support for industrial and research applications across Europe.

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N-[2-[(3-acetyl-5-nitrothiophen-2-yl)diazenyl]-6-(diethylamino)phenyl]acetamide 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.