(2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol

C17H12Cl2N2O

CAS60168-88-9
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
60168-88-9
EC Number
262-095-7
UN Number
3077
Index Number
603-104-00-X
PubChem CID
43226

Physical-chemical properties

Molecular Formula
C17H12Cl2N2O
Molar Mass
331.20 g/mol
IUPAC Name
(2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol

Chemical Identifiers

InChI
InChI=1S/C17H12Cl2N2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,22H
InChI Key
NHOWDZOIZKMVAI-UHFFFAOYSA-N

Overview

(2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol (CAS 60168-88-9) is an organochlorine compound with pyrimidine core structure and dual chlorophenyl substituents. This synthetic organic compound belongs to the pyrimidine alcohol family, characterized by its complex molecular architecture featuring two chlorinated phenyl rings attached to a pyrimidine-based methanol structure. With a molecular formula of C17H12Cl2N2O and molecular weight of 331.2 g/mol, this substance exhibits significant structural complexity that influences its chemical behavior and industrial applications. The compound presents notable safety considerations, classified under reproductive toxicity category 2 and lactation hazard, requiring careful handling protocols in industrial environments. Its aquatic chronic toxicity classification 2 indicates potential environmental persistence, necessitating appropriate waste management procedures. The GHS08 and GHS09 pictograms reflect health and environmental hazards respectively, while the ADR class 9 designation categorizes it as a miscellaneous dangerous substance for transportation purposes. From a structural perspective, this compound shares certain characteristics with other chlorinated aromatic systems, though its pyrimidine core distinguishes it from simpler carbamate derivatives like propan-2-yl N-(3-chlorophenyl)carbamate. The dual chlorophenyl substitution pattern provides unique reactivity profiles compared to single-substituted analogs. Primary industrial applications include pharmaceutical intermediate synthesis, specialty chemical manufacturing, and research applications requiring specific pyrimidine-based building blocks. The compound's structural features make it valuable for developing bioactive molecules and advanced materials where controlled reactivity is essential. OYSI maintains reliable supply chains for this specialized chemical, ensuring consistent availability for European industrial customers requiring high-quality pyrimidine derivatives for their manufacturing processes.

Safety & Classification

Warning
Classification:

Repr. 2; Lact.; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H362

May cause harm to breast-fed children.

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 NameFenarimol (ISO)
Marine PollutantNo

Frequently Asked Questions

What is (2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol?

(2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol is an organic chemical compound with the molecular formula C17H12Cl2N2O and CAS number 60168-88-9. This substance features a pyrimidine ring structure with two chlorophenyl substituents and a methanol group, resulting in a molecular weight of 331.2 g/mol. It is classified as a reproductive toxicant category 2 and poses environmental hazards to aquatic life with chronic toxicity.

What are the physicochemical properties of (2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol?

(2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol is a solid organic compound at room temperature with a molecular weight of 331.2 g/mol. The presence of chlorine atoms and the pyrimidine ring structure influence its polarity and solubility characteristics. Specific physical properties such as melting point, boiling point, and exact solubility data should be verified through technical documentation or safety data sheets for precise handling requirements.

What is (2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol used for?

(2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol is primarily used as a chemical intermediate in pharmaceutical synthesis and research applications. Its pyrimidine-based structure makes it valuable for developing pharmaceutical compounds and conducting chemical research. The specific applications depend on its role as a building block in organic synthesis, particularly in medicinal chemistry where pyrimidine derivatives are commonly utilized for drug development and biochemical studies.

How to handle (2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol safely?

(2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol requires careful handling due to its reproductive toxicity classification (Repr. 2). Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume extraction systems. Avoid skin contact, inhalation, and ingestion. Pregnant or breastfeeding individuals should avoid exposure. Follow COSHH regulations and ensure proper training before handling this substance.

How to store (2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol correctly?

(2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol should be stored in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Use tightly sealed, chemically compatible containers to prevent contamination and moisture absorption. Store separately from incompatible materials and ensure proper labeling with GHS pictograms (GHS08, GHS09). Implement restricted access due to reproductive toxicity concerns and maintain appropriate inventory records for regulatory compliance.

What to do in case of contact with (2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol?

Immediate action is required following contact with (2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol due to its reproductive toxicity. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water. In case of eye contact, flush immediately with clean water for at least 15 minutes. If inhaled, move to fresh air immediately. Seek medical attention promptly, especially for significant exposure, and provide the safety data sheet to medical personnel.

How to dispose of (2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol properly?

(2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol must be disposed of as hazardous waste according to local and EU regulations. Contact licensed hazardous waste disposal companies for proper treatment and destruction. Do not discharge into sewers, waterways, or soil due to its aquatic toxicity classification (Aquatic Chronic 2). Maintain waste disposal records and ensure compliance with REACH and national waste management regulations for organic chemical compounds.

How to transport (2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol?

(2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol is classified as ADR Class 9 (miscellaneous dangerous goods), Packing Group III, indicating moderate transport hazard. Use appropriate UN-specification packaging and ensure proper documentation including transport documents and emergency procedures. Vehicles must carry appropriate equipment for spill containment. Transport personnel require ADR training certification. Ensure packages are properly marked and labeled with relevant hazard identification codes and emergency contact information.

Is (2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol subject to specific regulations?

(2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol is subject to EU REACH regulation requiring registration for commercial use above tonnage thresholds. CLP regulation mandates classification as Repr. 2 and Aquatic Chronic 2 with appropriate labeling using GHS08 and GHS09 pictograms. While not currently listed as SVHC, its reproductive toxicity classification requires compliance with occupational exposure limits and workplace health surveillance programs under relevant national regulations.

Where to buy (2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol in Europe?

(2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this substance to qualified industrial and research customers with proper documentation including safety data sheets, certificates of analysis, and regulatory compliance information. Contact OYSI directly for availability, specifications, and ordering procedures, ensuring your organization meets the necessary requirements for handling reproductive toxicants and hazardous chemicals.

Data Sources

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