5-methyl-2-(2-nitroanilino)thiophene-3-carbonitrile

C12H9N3O2S

CAS138564-59-7
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
138564-59-7
EC Number
421-300-1
UN Number
3077
Index Number
608-060-00-5
PubChem CID
395460

Physical-chemical properties

Molecular Formula
C12H9N3O2S
Molar Mass
259.29 g/mol
IUPAC Name
5-methyl-2-(2-nitroanilino)thiophene-3-carbonitrile

Chemical Identifiers

InChI
InChI=1S/C12H9N3O2S/c1-8-6-9(7-13)12(18-8)14-10-4-2-3-5-11(10)15(16)17/h2-6,14H,1H3
InChI Key
NPXUFPFFHANGDL-UHFFFAOYSA-N

Overview

5-methyl-2-(2-nitroanilino)thiophene-3-carbonitrile (CAS 138564-59-7) is an organic heterocyclic compound featuring a thiophene ring with nitroanilino and carbonitrile functional groups. This specialized chemical compound belongs to the thiophene derivatives family, characterized by its unique molecular structure combining a methylated thiophene core with a nitroaniline substituent and a nitrile functional group. With a molecular formula of C12H9N3O2S and molecular weight of 259.29 g/mol, this compound exhibits distinct chemical properties that make it valuable for specific industrial applications. The presence of both electron-withdrawing nitro and nitrile groups alongside the electron-rich thiophene ring creates an interesting electronic profile, influencing its reactivity and potential applications. From a safety perspective, 5-methyl-2-(2-nitroanilino)thiophene-3-carbonitrile is classified under GHS pictogram GHS09 with a "Warning" signal word, primarily due to its aquatic toxicity profile (Aquatic Acute 1; Aquatic Chronic 1). The compound requires careful handling and proper environmental precautions during storage, transport, and use, falling under ADR Class 9 for transportation purposes. Industrial applications typically include its use as an intermediate in organic synthesis, particularly in pharmaceutical research and specialty chemical manufacturing. The compound's structural features make it suitable for developing advanced materials and as a building block in medicinal chemistry. Unlike simpler compounds such as copper(1+) thiocyanate, this complex molecule offers more sophisticated functionalization possibilities for specialized applications. OYSI provides reliable access to 5-methyl-2-(2-nitroanilino)thiophene-3-carbonitrile for European industrial customers, ensuring consistent quality and regulatory compliance for technical applications.

Safety & Classification

Warning
Classification:

Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

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

Transport (ADR)

UN Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Name5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophencarbonitril
Marine PollutantNo

Frequently Asked Questions

What is 5-methyl-2-(2-nitroanilino)thiophene-3-carbonitrile?

5-methyl-2-(2-nitroanilino)thiophene-3-carbonitrile is an organic chemical compound with the molecular formula C12H9N3O2S and a molecular weight of 259.29 g/mol. This thiophene derivative contains a nitrile group, a nitroaniline substituent, and a methyl group. The compound is classified as hazardous to aquatic environments and requires careful handling due to its potential environmental impact.

What are the physicochemical properties of 5-methyl-2-(2-nitroanilino)thiophene-3-carbonitrile?

5-methyl-2-(2-nitroanilino)thiophene-3-carbonitrile is a solid organic compound at room temperature with a molecular weight of 259.29 g/mol. As a thiophene derivative containing aromatic rings and polar functional groups (nitrile and nitro), it likely exhibits limited water solubility but good solubility in organic solvents. The compound's stability and other specific physical properties should be confirmed through technical documentation.

What is 5-methyl-2-(2-nitroanilino)thiophene-3-carbonitrile used for?

5-methyl-2-(2-nitroanilino)thiophene-3-carbonitrile is primarily used as an intermediate in organic synthesis and pharmaceutical research. Its structure, containing thiophene, nitrile, and nitroaniline moieties, makes it valuable for developing biologically active compounds and advanced materials. The compound serves as a building block in medicinal chemistry and may be used in the synthesis of specialized chemical products.

How to handle 5-methyl-2-(2-nitroanilino)thiophene-3-carbonitrile safely?

5-methyl-2-(2-nitroanilino)thiophene-3-carbonitrile should be handled with standard laboratory safety equipment including safety goggles, gloves, and protective clothing. Work in well-ventilated areas or under fume hoods to prevent inhalation. Avoid release to the environment due to its aquatic toxicity classification. Follow good laboratory practices, minimize exposure, and ensure proper waste containment during handling operations.

How to store 5-methyl-2-(2-nitroanilino)thiophene-3-carbonitrile properly?

5-methyl-2-(2-nitroanilino)thiophene-3-carbonitrile should be stored in a cool, dry, well-ventilated area away from heat and ignition sources. Keep containers tightly closed and properly labeled. Store away from incompatible materials and ensure secondary containment to prevent environmental release. Follow local regulations for chemical storage and maintain appropriate inventory records for regulatory compliance.

What to do in case of contact with 5-methyl-2-(2-nitroanilino)thiophene-3-carbonitrile?

In case of skin contact with 5-methyl-2-(2-nitroanilino)thiophene-3-carbonitrile, immediately wash the affected area with soap and water for at least 15 minutes. For eye contact, flush with clean water for at least 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. Remove contaminated clothing and wash before reuse. Seek medical advice if symptoms develop or persist.

How to dispose of 5-methyl-2-(2-nitroanilino)thiophene-3-carbonitrile appropriately?

5-methyl-2-(2-nitroanilino)thiophene-3-carbonitrile must be disposed of as hazardous waste due to its aquatic toxicity classification. Contact licensed waste disposal companies for proper treatment and disposal. Never release to sewers, waterways, or soil. Follow local and EU waste regulations including proper classification, labeling, and documentation. Incineration at authorized facilities is typically the preferred disposal method for organic compounds.

How to transport 5-methyl-2-(2-nitroanilino)thiophene-3-carbonitrile?

5-methyl-2-(2-nitroanilino)thiophene-3-carbonitrile is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transport purposes. Use appropriate UN-specification packaging and ensure proper labeling with GHS09 environmental hazard pictogram. Transport documents must include proper shipping names and hazard information. Follow ADR regulations for loading, segregation, and vehicle requirements when shipping within Europe.

Is 5-methyl-2-(2-nitroanilino)thiophene-3-carbonitrile subject to specific regulations?

5-methyl-2-(2-nitroanilino)thiophene-3-carbonitrile is subject to EU CLP regulation requiring classification as Aquatic Acute 1 and Aquatic Chronic 1 with Warning signal word and GHS09 pictogram. It falls under REACH registration requirements for chemical substances. The compound is not currently listed as a Substance of Very High Concern (SVHC). Users must comply with safety data sheet requirements and workplace exposure regulations.

Where to buy 5-methyl-2-(2-nitroanilino)thiophene-3-carbonitrile in Europe?

5-methyl-2-(2-nitroanilino)thiophene-3-carbonitrile is available through OYSI, a specialized European distributor of chemical products. OYSI provides reliable supply chains across Europe with proper regulatory compliance and technical support. Contact OYSI directly for availability, specifications, and delivery options. Ensure your supplier provides complete safety documentation and meets REACH registration requirements for this substance.

Data Sources

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