1-[chloro(phenyl)methyl]-2-methylbenzene
C14H13Cl
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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 benzyl chloride functionality and methylated aromatic structure. This specialized chemical intermediate belongs to the family of substituted benzyl chlorides, featuring a distinctive molecular architecture that combines chlorinated benzhydryl functionality with a methylated aromatic ring. The compound's molecular formula C14H13Cl and molecular weight of 216.7 g/mol reflect its complex aromatic structure, which provides 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 significant environmental impact potential, being classified as both acutely and chronically hazardous to aquatic life (Aquatic Acute 1; Aquatic Chronic 1). The compound carries GHS07 and GHS09 pictograms with a "Warning" signal word, indicating moderate health hazards and serious environmental concerns. Its ADR Class 9 classification as a miscellaneous dangerous substance necessitates proper transportation and storage procedures. The compound finds primary applications in pharmaceutical intermediate synthesis, where its reactive benzyl chloride functionality enables nucleophilic substitution reactions for drug development. Additionally, it serves as a building block in specialty chemical manufacturing and advanced materials research. While structurally distinct from related compounds like 2-cyclopentyloxyethylbenzene, it shares similar synthetic utility in creating complex aromatic frameworks. The compound's unique substitution pattern makes it particularly valuable for developing molecules requiring specific spatial arrangements of aromatic and aliphatic components. OYSI maintains reliable supply chains for this specialized intermediate, supporting European customers in pharmaceutical and fine chemical sectors.
Safety & Classification
Skin Irrit. 2; Aquatic Acute 1; Aquatic Chronic 1
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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
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 Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | 1-(Chlorphenylmethyl)-2-methylbenzen, fest |
| Marine Pollutant | No |
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 features a benzyl chloride structure with a phenyl group and a methyl-substituted benzene ring. With a molecular weight of 216.7 g/mol, it belongs to the class of chlorinated aromatic hydrocarbons and is classified as a skin irritant and aquatic pollutant under GHS regulations.
What are the physicochemical properties of 1-[chloro(phenyl)methyl]-2-methylbenzene?
1-[chloro(phenyl)methyl]-2-methylbenzene is typically a colorless to pale yellow liquid at room temperature with a characteristic aromatic odor. As an organic chloride compound with molecular weight 216.7 g/mol, it exhibits low water solubility but good solubility in organic solvents like alcohols, ethers, and hydrocarbons. The compound contains reactive benzyl chloride functionality, making it susceptible to nucleophilic substitution reactions.
What is 1-[chloro(phenyl)methyl]-2-methylbenzene used for?
1-[chloro(phenyl)methyl]-2-methylbenzene serves primarily as an intermediate in organic synthesis and pharmaceutical manufacturing. The compound's benzyl chloride functionality makes it valuable for alkylation reactions, coupling processes, and the preparation of various aromatic derivatives. It may be used in the synthesis of specialty chemicals, pharmaceutical intermediates, and fine chemical products where selective chlorinated aromatic compounds are required.
How to handle 1-[chloro(phenyl)methyl]-2-methylbenzene safely?
1-[chloro(phenyl)methyl]-2-methylbenzene requires careful handling due to its skin irritant properties (Skin Irrit. 2). Wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to avoid inhalation. Prevent skin and eye contact, and ensure emergency washing facilities are readily available. Handle containers carefully to prevent spills and environmental release.
How to store 1-[chloro(phenyl)methyl]-2-methylbenzene correctly?
1-[chloro(phenyl)methyl]-2-methylbenzene should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Keep containers upright and secure to prevent leakage. Store away from incompatible materials such as strong oxidizers and bases. Ensure storage areas have appropriate containment measures to prevent environmental contamination, given its aquatic toxicity classification.
What to do in case of contact with 1-[chloro(phenyl)methyl]-2-methylbenzene?
Immediate action is required upon contact with 1-[chloro(phenyl)methyl]-2-methylbenzene due to its skin irritant properties. For skin contact, remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, rinse immediately with clean water for 15 minutes. If symptoms persist or irritation occurs, seek medical attention promptly. Remove the person from exposure and ensure fresh air.
How to dispose of 1-[chloro(phenyl)methyl]-2-methylbenzene appropriately?
1-[chloro(phenyl)methyl]-2-methylbenzene must be disposed of through authorized hazardous waste management facilities due to its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1). Never discharge into drains, soil, or water bodies. Collect waste in appropriate containers and label clearly. Contact licensed waste disposal companies for proper treatment and disposal according to local and European waste regulations including the Waste Framework Directive.
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 transportation. This classification requires appropriate packaging, labeling with Class 9 hazard labels, and proper shipping documentation. Containers must be leak-proof and suitable for the chemical's properties. Transport vehicles should be equipped for chemical spill containment, and drivers must have appropriate dangerous goods training certification.
Is 1-[chloro(phenyl)methyl]-2-methylbenzene subject to specific regulations?
1-[chloro(phenyl)methyl]-2-methylbenzene is subject to European REACH regulation for registration and safety assessment. Under CLP regulation, it carries Warning signal word with GHS07 and GHS09 pictograms due to skin irritation and aquatic toxicity. The substance is not currently listed as SVHC (Substance of Very High Concern). Users must comply with safety data sheet requirements and implement appropriate risk management measures according to its hazard classification.
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 full regulatory compliance including safety data sheets, proper packaging, and transportation according to ADR Class 9 requirements. As a professional chemical distributor, OYSI ensures product quality and regulatory compliance for industrial and research applications throughout Europe.
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1-[chloro(phenyl)methyl]-2-methylbenzene is a dangerous good. We support you with labeling, packaging, and transport documentation.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.