N-[2-[(3-acetyl-5-nitrothiophen-2-yl)diazenyl]-6-(diethylamino)phenyl]acetamide
C18H21N5O4S
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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 industrial applications. This complex organic molecule belongs to the azo dye family, characterized by its distinctive diazenyl bridge connecting a substituted thiophene ring to a diethylaminophenyl moiety. With a molecular formula of C18H21N5O4S and molecular weight of 403.5 g/mol, this compound exhibits the typical structural features of advanced synthetic dyes and pigments. The presence of both electron-donating diethylamino groups and electron-withdrawing nitro and acetyl substituents creates a highly conjugated system that influences its optical and chemical properties. From a safety perspective, this substance requires careful handling due to its classification as Repr. 2 (reproductive toxicity category 2) and Skin Sens. 1 (skin sensitization category 1). The GHS08 and GHS07 pictograms reflect these health hazards, while the GHS09 pictogram indicates significant aquatic toxicity (Aquatic Acute 1; Aquatic Chronic 1). Transportation falls under ADR class 9 (miscellaneous dangerous goods), necessitating appropriate packaging and documentation. Industrial applications typically include specialty dyeing processes, advanced colorant formulations, and research applications in materials science. The compound's unique chromophoric properties make it valuable in applications requiring specific color characteristics, similar to how related compounds like 6-amino-N-methylnaphthalene-2-sulfonamide serve specialized roles in sulfonamide chemistry. Its complex structure also positions it for potential use in electronic materials and optical applications. OYSI maintains availability of this specialized chemical for qualified industrial customers requiring high-purity azo compounds for technical applications.
Safety & Classification
Repr. 2; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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
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 Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | N-[2-(3-Acetyl-5-nitrothiophen-2-ylazo)-5-diethylaminophenyl]acetamid |
| Marine Pollutant | No |
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 a complex organic compound with the molecular formula C18H21N5O4S and CAS number 777891-21-1. This substance has a molecular weight of 403.5 g/mol and contains multiple functional groups including acetyl, nitro, thiophene, diazenyl, and diethylamino moieties. It is classified as a hazardous substance requiring careful handling due to its reproductive toxicity and skin sensitization properties.
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 organic compound with a molecular weight of 403.5 g/mol. The presence of aromatic rings, polar functional groups (acetyl, nitro), and the diazenyl linkage suggests it likely exhibits limited water solubility but good solubility in organic solvents. The compound's structure indicates it may be colored due to the extended conjugation system including the azo linkage.
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 specialized chemical intermediate in research and industrial applications. Its complex structure containing azo and thiophene groups suggests potential applications in dye chemistry, pharmaceutical intermediates, or advanced material synthesis. The compound may also serve as a building block for developing specialized organic compounds in chemical research and development.
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 with appropriate personal protective equipment. Use nitrile gloves, safety goggles, and protective clothing to prevent skin contact due to its skin sensitization properties. Work in well-ventilated areas or under fume hoods. Avoid inhalation and ingestion, as the compound is classified as Repr. 2 (reproductive toxicity). Always wash hands thoroughly after handling and follow proper hygiene protocols.
How to store N-[2-[(3-acetyl-5-nitrothiophen-2-yl)diazenyl]-6-(diethylamino)phenyl]acetamide correctly?
N-[2-[(3-acetyl-5-nitrothiophen-2-yl)diazenyl]-6-(diethylamino)phenyl]acetamide should be stored in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers tightly closed and properly labeled. Due to its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1), ensure secure storage to prevent environmental release. Store away from incompatible materials and maintain appropriate segregation from other chemical classes to prevent cross-contamination.
What to do in case of contact with 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 exposure requires immediate action. For skin contact, immediately wash with plenty of soap and water for at least 15 minutes and remove contaminated clothing. If eye contact occurs, rinse thoroughly with water for 15 minutes. If inhaled, move to fresh air immediately. Due to the compound's reproductive toxicity and skin sensitization properties, seek medical attention if symptoms develop or exposure is significant.
How to dispose of 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 must be disposed of through licensed hazardous waste disposal facilities in accordance with local and European regulations. Due to its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1), it cannot be discharged to sewers or waterways. Collect waste in appropriate containers, label properly, and arrange disposal through authorized chemical waste management companies following applicable waste codes and classification requirements.
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 (Miscellaneous dangerous substances), Packing Group III. This classification requires proper packaging, marking, and documentation for transport. Use appropriate packaging that meets UN specifications, ensure proper labeling with hazard diamonds, and include proper shipping documentation. Transport must comply with European ADR regulations for Class 9 substances, including vehicle requirements and driver training.
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. It is not currently listed as a Substance of Very High Concern (SVHC). The substance requires proper classification and labeling under CLP regulation with Warning signal word and appropriate GHS pictograms (GHS07, GHS08, GHS09). Users must comply with safety data sheet requirements and appropriate risk management measures for reproductive toxicity and environmental protection.
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 this compound to research institutions, pharmaceutical companies, and industrial users across Europe. As a professional chemical distributor, OYSI ensures proper handling, documentation, and regulatory compliance for this specialized substance. Contact OYSI directly for availability, specifications, and technical support for your specific application requirements.
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ADR Consulting for 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 dangerous good. We support you with labeling, packaging, and transport documentation.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.