1-[chloro(phenyl)methyl]-2-methylbenzene

C14H13Cl

CAS41870-52-4
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
41870-52-4
EC Number
431-450-1
UN Number
3077
Index Number
602-103-00-1
PubChem CID
10798787

Physical-chemical properties

Molecular Formula
C14H13Cl
Molar Mass
216.70 g/mol
IUPAC Name
1-[chloro(phenyl)methyl]-2-methylbenzene

Chemical Identifiers

InChI
InChI=1S/C14H13Cl/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h2-10,14H,1H3
InChI Key
VTZTUKIBJQCCMO-UHFFFAOYSA-N

Overview

1-[chloro(phenyl)methyl]-2-methylbenzene (CAS 41870-52-4) is an organochlorine compound with aromatic structure and moderate skin irritation properties. This specialized chemical compound represents a chlorinated aromatic intermediate featuring a distinctive molecular architecture. With its molecular formula C14H13Cl and molecular weight of 216.7 g/mol, this substance exhibits the characteristic properties of substituted benzene derivatives. The compound's structure incorporates both a methylated benzene ring and a chlorinated phenylmethyl group, creating unique reactivity patterns valuable in synthetic chemistry applications. From a safety perspective, 1-[chloro(phenyl)methyl]-2-methylbenzene requires careful handling protocols due to its classification as a skin irritant (Skin Irrit. 2) and its acute and chronic aquatic toxicity profile (Aquatic Acute 1; Aquatic Chronic 1). The compound carries a Warning signal word and displays GHS07 and GHS09 pictograms, indicating both health hazards and environmental concerns. Its ADR classification as Class 9 (miscellaneous dangerous goods) necessitates appropriate transportation and storage procedures. In industrial applications, this compound serves primarily as a chemical intermediate in pharmaceutical synthesis, specialty polymer production, and advanced materials manufacturing. Its unique structural features make it particularly valuable in developing compounds with specific electronic and steric properties. While chemically distinct from related aromatic compounds such as 2-cyclopentyloxyethylbenzene, it shares certain synthetic utility characteristics common to substituted aromatic intermediates. OYSI maintains reliable supply chains for this specialized chemical intermediate, supporting European manufacturers requiring consistent quality and technical documentation for their synthetic chemistry operations.

Safety & Classification

Warning
Classification:

Skin Irrit. 2; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H315

Causes skin irritation.

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

Skin Contact

Irritant

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Name1-(Chlorphenylmethyl)-2-methylbenzen, fest
Marine PollutantNo

Frequently Asked Questions

What is 1-[chloro(phenyl)methyl]-2-methylbenzene?

1-[chloro(phenyl)methyl]-2-methylbenzene is an organochlorine compound with the molecular formula C14H13Cl and CAS number 41870-52-4. This chemical substance has a molecular weight of 216.7 g/mol and belongs to the class of chlorinated aromatic hydrocarbons. It is characterized by a benzyl chloride structure with additional methyl and phenyl substituents, making it a specialized intermediate in organic synthesis applications.

What are the physicochemical properties of 1-[chloro(phenyl)methyl]-2-methylbenzene?

1-[chloro(phenyl)methyl]-2-methylbenzene is typically a liquid at room temperature due to its organic nature and molecular structure. As an aromatic chlorinated compound, it likely exhibits limited water solubility but good solubility in organic solvents such as alcohols, ethers, and hydrocarbons. The presence of the chlorine atom and aromatic rings contributes to its chemical stability and specific reactivity patterns in organic synthesis.

What is 1-[chloro(phenyl)methyl]-2-methylbenzene used for?

1-[chloro(phenyl)methyl]-2-methylbenzene is primarily used as an intermediate in organic synthesis and pharmaceutical manufacturing. Its structure makes it valuable for creating more complex molecules through nucleophilic substitution reactions at the benzylic chloride position. It serves as a building block in the production of specialty chemicals, pharmaceutical intermediates, and fine chemicals where specific aromatic substitution patterns are required.

How to handle 1-[chloro(phenyl)methyl]-2-methylbenzene safely?

1-[chloro(phenyl)methyl]-2-methylbenzene requires careful handling as it causes skin irritation (Skin Irrit. 2). Always wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Ensure adequate ventilation in work areas and avoid direct skin contact. Use in well-ventilated areas or under fume hoods to prevent inhalation exposure. Emergency eyewash stations and safety showers should be readily accessible.

How to store 1-[chloro(phenyl)methyl]-2-methylbenzene correctly?

1-[chloro(phenyl)methyl]-2-methylbenzene should be stored in tightly closed containers in a cool, dry, well-ventilated area away from incompatible materials. Keep containers away from heat sources, direct sunlight, and ignition sources. Store separately from strong oxidizing agents and bases. Ensure proper secondary containment to prevent environmental release, as this substance is harmful to aquatic life with long-lasting effects (Aquatic Chronic 1).

What to do in case of contact with 1-[chloro(phenyl)methyl]-2-methylbenzene?

1-[chloro(phenyl)methyl]-2-methylbenzene contact requires immediate action due to its skin irritating properties. For skin contact, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, rinse immediately with plenty of water for at least 15 minutes and seek medical attention. If inhaled, move to fresh air immediately and seek medical advice if symptoms persist.

How to dispose of 1-[chloro(phenyl)methyl]-2-methylbenzene appropriately?

1-[chloro(phenyl)methyl]-2-methylbenzene must be disposed of as hazardous waste according to local and national regulations. Due to its aquatic toxicity classification (Aquatic Acute 1, Aquatic Chronic 1), prevent release to water systems or soil. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Never pour down drains or dispose of with regular waste. Maintain detailed disposal records as required by environmental regulations.

How to transport 1-[chloro(phenyl)methyl]-2-methylbenzene?

1-[chloro(phenyl)methyl]-2-methylbenzene is classified as ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III for transport purposes. This classification requires appropriate packaging, labeling, and documentation according to ADR regulations. Use UN-approved packaging and ensure proper hazard labels including GHS07 and GHS09 pictograms are displayed. Transport documentation must include the correct shipping name, UN number, and emergency response information.

Is 1-[chloro(phenyl)methyl]-2-methylbenzene subject to specific regulations?

1-[chloro(phenyl)methyl]-2-methylbenzene is subject to REACH registration requirements and CLP classification regulations in Europe. It is classified with Warning signal word and requires appropriate safety data sheets. While not currently listed as a Substance of Very High Concern (SVHC), its aquatic toxicity classification means it falls under environmental protection regulations. Compliance with occupational exposure limits and environmental discharge restrictions is mandatory for commercial use.

Where to buy 1-[chloro(phenyl)methyl]-2-methylbenzene in Europe?

1-[chloro(phenyl)methyl]-2-methylbenzene is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound with proper documentation, safety data sheets, and regulatory compliance for industrial and research applications. As a professional chemical distributor, OYSI ensures quality standards and reliable supply chains across Europe while maintaining all necessary certifications for handling and distributing this regulated substance.

Data Sources

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