3-(3-chloro-4-methylphenyl)-1,1-dimethylurea

C10H13ClN2O

CAS15545-48-9
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
15545-48-9
EC Number
239-592-2
UN Number
3077
Index Number
616-105-00-5
PubChem CID
27375

Physical-chemical properties

Molecular Formula
C10H13ClN2O
Molar Mass
212.67 g/mol
IUPAC Name
3-(3-chloro-4-methylphenyl)-1,1-dimethylurea

Chemical Identifiers

InChI
InChI=1S/C10H13ClN2O/c1-7-4-5-8(6-9(7)11)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)
InChI Key
JXCGFZXSOMJFOA-UHFFFAOYSA-N

Overview

3-(3-chloro-4-methylphenyl)-1,1-dimethylurea (CAS 15545-48-9) is a substituted phenylurea compound with herbicidal properties and significant environmental persistence concerns. This chlorinated aromatic urea derivative represents an important class of organic herbicides widely utilized in agricultural and industrial vegetation management applications. With the molecular formula C10H13ClN2O and a molecular weight of 212.67 g/mol, this compound exhibits the characteristic structure of phenylurea herbicides, featuring a dimethylurea moiety attached to a chloro-methylated benzene ring. The presence of both chlorine and methyl substituents on the aromatic ring significantly influences its biological activity and environmental behavior. The compound's classification under GHS regulations reflects serious safety considerations, including potential carcinogenic effects (Carc. 2) and reproductive toxicity (Repr. 2). Additionally, its high aquatic toxicity profile (Aquatic Acute 1; Aquatic Chronic 1) indicates substantial environmental persistence and bioaccumulation potential, requiring careful handling and disposal protocols. The ADR Class 9 classification designates it as a miscellaneous dangerous substance for transport purposes. Primary industrial applications include selective herbicide formulations for crop protection, particularly in cereal and specialty crop systems where broadleaf weed control is essential. The compound also finds use in non-crop vegetation management applications, including industrial site maintenance and right-of-way management programs. Like related compounds such as propan-2-yl N-(3-chlorophenyl)carbamate, it demonstrates selective phytotoxic activity through photosynthetic inhibition mechanisms. OYSI maintains technical-grade supplies of 3-(3-chloro-4-methylphenyl)-1,1-dimethylurea for qualified industrial customers throughout Europe, supporting agrochemical manufacturing and specialty chemical applications.

Safety & Classification

Warning
Classification:

Carc. 2; Repr. 2; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H351

Suspected of causing cancer.

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 NameChlortoluron (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 3-(3-chloro-4-methylphenyl)-1,1-dimethylurea?

3-(3-chloro-4-methylphenyl)-1,1-dimethylurea is a synthetic organic compound with the molecular formula C10H13ClN2O and CAS number 15545-48-9. This chlorinated aromatic urea derivative has a molecular weight of 212.67 g/mol and belongs to the substituted phenylurea family. The compound is classified as a category 2 carcinogen and reproductive toxicant under CLP regulation, requiring careful handling and appropriate safety measures.

What are the physicochemical properties of 3-(3-chloro-4-methylphenyl)-1,1-dimethylurea?

3-(3-chloro-4-methylphenyl)-1,1-dimethylurea is a solid organic compound at room temperature with moderate molecular weight (212.67 g/mol). As a chlorinated aromatic urea derivative, it typically exhibits limited water solubility due to its hydrophobic aromatic structure and chlorine substitution. The compound's physicochemical behavior is influenced by the presence of both polar urea functionality and nonpolar aromatic components with methyl and chloro substituents.

What is 3-(3-chloro-4-methylphenyl)-1,1-dimethylurea used for?

3-(3-chloro-4-methylphenyl)-1,1-dimethylurea is primarily used as a chemical intermediate in pharmaceutical and agrochemical synthesis. Its substituted phenylurea structure makes it valuable for developing herbicides, pesticides, and pharmaceutical compounds. The compound serves as a building block in organic synthesis processes where specific chlorinated aromatic functionalities are required. Industrial applications focus on specialized chemical manufacturing rather than direct end-user products.

How to handle 3-(3-chloro-4-methylphenyl)-1,1-dimethylurea safely?

3-(3-chloro-4-methylphenyl)-1,1-dimethylurea requires strict safety protocols due to its carcinogenic and reproductive toxicity classification. Essential PPE includes chemical-resistant gloves, safety goggles, and respiratory protection in well-ventilated areas. Avoid skin contact, inhalation, and ingestion. Work in fume hoods when possible and ensure proper hygiene practices including thorough handwashing. Pregnant workers should avoid exposure due to reproductive hazard classification.

How to store 3-(3-chloro-4-methylphenyl)-1,1-dimethylurea correctly?

3-(3-chloro-4-methylphenyl)-1,1-dimethylurea should be stored in tightly sealed containers in cool, dry, well-ventilated areas away from heat sources and incompatible materials. Keep containers clearly labeled and segregated from food, feed, and oxidizing agents. Storage areas must be secured to prevent unauthorized access due to the compound's hazardous classification. Regular container inspection ensures integrity and prevents accidental exposure or environmental release.

What to do in case of contact with 3-(3-chloro-4-methylphenyl)-1,1-dimethylurea?

Immediate action is required upon contact with 3-(3-chloro-4-methylphenyl)-1,1-dimethylurea. For skin contact, remove contaminated clothing and rinse thoroughly with soap and water for at least 15 minutes. If inhaled, move to fresh air immediately. For eye contact, flush with clean water for 15 minutes. Seek medical attention promptly, especially given the carcinogenic classification. Never induce vomiting if ingested; rinse mouth and seek immediate medical care.

How to dispose of 3-(3-chloro-4-methylphenyl)-1,1-dimethylurea appropriately?

3-(3-chloro-4-methylphenyl)-1,1-dimethylurea must be disposed of as hazardous waste through licensed waste management companies in accordance with local and EU regulations. The compound's carcinogenic classification requires special handling during disposal. Incineration at appropriate temperatures in authorized facilities is typically required. Never dispose of via regular waste streams, sewers, or soil. Maintain proper documentation of disposal activities for regulatory compliance.

How to transport 3-(3-chloro-4-methylphenyl)-1,1-dimethylurea?

3-(3-chloro-4-methylphenyl)-1,1-dimethylurea is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation. Packages must comply with UN packaging requirements and bear appropriate hazard labels including GHS08 and GHS09 pictograms. Transport documents must include proper shipping names, classification codes, and emergency response information. Only use authorized carriers familiar with hazardous material transportation regulations.

Is 3-(3-chloro-4-methylphenyl)-1,1-dimethylurea subject to specific regulations?

3-(3-chloro-4-methylphenyl)-1,1-dimethylurea is subject to comprehensive EU chemical regulations including REACH registration requirements and CLP classification as Carc. 2 and Repr. 2. The compound requires safety data sheets, appropriate labeling with Warning signal word, and GHS08/GHS09 pictograms. While not currently listed as SVHC, its hazardous properties mandate strict compliance with occupational exposure limits and environmental protection measures across EU member states.

Where to buy 3-(3-chloro-4-methylphenyl)-1,1-dimethylurea in Europe?

3-(3-chloro-4-methylphenyl)-1,1-dimethylurea is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides reliable supply chains for industrial customers requiring this compound for pharmaceutical intermediates, agrochemical synthesis, and specialized applications. As a regulated substance requiring proper handling expertise, purchasing through established chemical distributors ensures compliance with safety regulations, proper documentation, and technical support for safe handling procedures.

Data Sources

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