1-(2-chloro-4-pyridinyl)-3-phenylurea

C12H10ClN3O

CAS68157-60-8
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
68157-60-8
UN Number
3077
Index Number
613-254-00-8
PubChem CID
93379

Physical-chemical properties

Molecular Formula
C12H10ClN3O
Molar Mass
247.68 g/mol
IUPAC Name
1-(2-chloro-4-pyridinyl)-3-phenylurea

Chemical Identifiers

InChI
InChI=1S/C12H10ClN3O/c13-11-8-10(6-7-14-11)16-12(17)15-9-4-2-1-3-5-9/h1-8H,(H2,14,15,16,17)
InChI Key
GPXLRLUVLMHHIK-UHFFFAOYSA-N

Overview

1-(2-chloro-4-pyridinyl)-3-phenylurea (CAS 68157-60-8) is an organochlorine compound with substituted pyridine and phenyl groups linked by a urea bridge. This specialized chemical intermediate belongs to the family of substituted ureas, characterized by its unique molecular structure combining a chlorinated pyridine ring with a phenyl group through a urea linkage. With a molecular formula of C12H10ClN3O and molecular weight of 247.68 g/mol, this compound exhibits properties typical of both aromatic heterocycles and urea derivatives. The presence of the chlorine substituent on the pyridine ring significantly influences its reactivity and biological activity profile. The compound requires careful handling due to its classification as a Category 2 carcinogen and potential for chronic aquatic toxicity. Safety protocols mandate appropriate personal protective equipment and controlled storage conditions. The GHS08 and GHS09 pictograms indicate both health hazards and environmental concerns, necessitating specialized waste disposal procedures. As a Class 9 miscellaneous dangerous substance under ADR regulations, transportation requires compliance with specific packaging and documentation requirements. Industrial applications primarily focus on pharmaceutical intermediate synthesis and specialty chemical manufacturing. The compound serves as a building block in medicinal chemistry research, particularly in developing compounds with pyridine-urea pharmacophores. Its structural similarity to other halogenated compounds like propan-2-yl N-(3-chlorophenyl)carbamate makes it valuable in comparative structure-activity relationship studies. Additionally, it finds use in agrochemical research as a precursor for developing novel crop protection agents. OYSI maintains reliable supply chains for 1-(2-chloro-4-pyridinyl)-3-phenylurea, supporting European customers with technical-grade material and comprehensive documentation for regulatory compliance across diverse industrial applications.

Safety & Classification

Warning
Classification:

Carc. 2; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H351

Suspected of causing cancer.

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

Transport (ADR)

UN Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameForchlorfenuron (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 1-(2-chloro-4-pyridinyl)-3-phenylurea?

1-(2-chloro-4-pyridinyl)-3-phenylurea is an organic chemical compound with the molecular formula C12H10ClN3O and CAS number 68157-60-8. This urea derivative features a chlorinated pyridine ring connected to a phenyl group through a urea linkage, giving it a molecular weight of 247.68 g/mol. It is classified as a category 2 carcinogen and chronic aquatic toxicant category 2 under GHS classification.

What are the physicochemical properties of 1-(2-chloro-4-pyridinyl)-3-phenylurea?

1-(2-chloro-4-pyridinyl)-3-phenylurea is a solid organic compound at room temperature with a molecular weight of 247.68 g/mol. The compound contains chlorine, nitrogen, and oxygen functional groups within its aromatic structure. Specific physical properties such as melting point, solubility, and appearance may vary depending on the grade and purity of the material supplied.

What is 1-(2-chloro-4-pyridinyl)-3-phenylurea used for?

1-(2-chloro-4-pyridinyl)-3-phenylurea is primarily used as an intermediate in pharmaceutical and agrochemical synthesis. This compound serves as a building block for the development of various active ingredients due to its unique structural features combining pyridine and phenyl groups. It may also be utilized in research and development applications within the chemical industry for specialized synthesis processes.

How to handle 1-(2-chloro-4-pyridinyl)-3-phenylurea safely?

1-(2-chloro-4-pyridinyl)-3-phenylurea requires careful handling due to its carcinogenic properties (Carc. 2). Essential safety measures include wearing appropriate personal protective equipment such as gloves, safety goggles, and respiratory protection. Work should be conducted in well-ventilated areas or under fume extraction. Avoid skin contact, inhalation, and ingestion. Follow strict hygiene protocols and wash hands thoroughly after handling.

How to store 1-(2-chloro-4-pyridinyl)-3-phenylurea correctly?

1-(2-chloro-4-pyridinyl)-3-phenylurea should be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers tightly closed and properly labeled according to GHS requirements with warning pictograms GHS08 and GHS09. Storage areas should be secure and accessible only to trained personnel due to the carcinogenic classification of this substance.

What to do in case of contact with 1-(2-chloro-4-pyridinyl)-3-phenylurea?

Immediate action is required upon contact with 1-(2-chloro-4-pyridinyl)-3-phenylurea due to its hazardous nature. For skin contact, wash immediately with plenty of soap and water. In case of eye contact, rinse thoroughly with water for at least 15 minutes. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek medical attention promptly. Always consult the safety data sheet for detailed first aid measures.

How to dispose of 1-(2-chloro-4-pyridinyl)-3-phenylurea appropriately?

1-(2-chloro-4-pyridinyl)-3-phenylurea must be disposed of as hazardous waste according to local and EU regulations due to its carcinogenic and aquatic toxicity properties. Contact licensed waste disposal companies specialized in hazardous chemical waste. Never dispose of this substance through regular waste streams or pour down drains. Maintain proper documentation of disposal activities as required by environmental regulations.

How to transport 1-(2-chloro-4-pyridinyl)-3-phenylurea?

1-(2-chloro-4-pyridinyl)-3-phenylurea is classified as ADR Class 9 (miscellaneous dangerous substances), Packing Group III for transportation. This classification requires appropriate packaging, labeling, and documentation according to international dangerous goods regulations. Transportation must comply with ADR/RID requirements for road and rail transport, with proper shipping papers and emergency response information provided to carriers.

Is 1-(2-chloro-4-pyridinyl)-3-phenylurea subject to specific regulations?

1-(2-chloro-4-pyridinyl)-3-phenylurea is subject to REACH and CLP regulations in Europe due to its hazardous properties. While not currently listed as a Substance of Very High Concern (SVHC), its carcinogenic classification (Carc. 2) requires compliance with occupational exposure limits and worker protection measures. Users must follow proper risk assessment procedures and implement appropriate risk management measures as per regulatory requirements.

Where to buy 1-(2-chloro-4-pyridinyl)-3-phenylurea in Europe?

1-(2-chloro-4-pyridinyl)-3-phenylurea is available through OYSI, a specialized European distributor of chemical products. OYSI provides professional-grade chemicals with proper documentation, safety data sheets, and regulatory compliance support. As a trusted supplier in the European market, OYSI ensures quality products and reliable service for industrial and research applications requiring this specialized chemical intermediate.

Data Sources

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