1-(bromomethyl)-4-methylbenzene

C8H9Br

CAS104-81-4

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Identification

CAS Number
104-81-4
EC Number
203-240-6
UN Number
3417
PubChem CID
7721

Physical-chemical properties

Molecular Formula
C8H9Br
Molar Mass
185.06 g/mol
IUPAC Name
1-(bromomethyl)-4-methylbenzene

Chemical Identifiers

InChI
InChI=1S/C8H9Br/c1-7-2-4-8(6-9)5-3-7/h2-5H,6H2,1H3
InChI Key
WZRKSPFYXUXINF-UHFFFAOYSA-N

Overview

1-(Bromomethyl)-4-methylbenzene (CAS 104-81-4) is an aromatic halide compound with selective bromination properties used in organic synthesis applications. This chemical compound, also known by its molecular formula C8H9Br, belongs to the family of substituted benzyl bromides and serves as a crucial intermediate in pharmaceutical and fine chemical manufacturing. With a molecular weight of 185.06 g/mol, this aromatic compound features both a methyl group and a bromomethyl substituent on the benzene ring, providing unique reactivity characteristics that make it valuable for selective organic transformations. The substance exhibits typical properties of benzyl halides, including reactivity toward nucleophilic substitution reactions and the ability to participate in various coupling reactions. Its brominated structure allows for controlled chemical modifications while maintaining stability under standard storage conditions. From a safety perspective, the compound is classified under ADR Class 6.1, indicating its toxic properties require appropriate handling procedures and protective equipment during industrial use. Primary industrial applications include its use as a synthetic intermediate in pharmaceutical manufacturing, where it serves as a building block for active pharmaceutical ingredients. The compound also finds application in the production of specialty polymers and advanced materials, where its selective reactivity enables precise molecular architecture design. Additionally, it functions as a key reagent in agrochemical synthesis, similar to how compounds like 4-nitroaniline serve specialized roles in agricultural chemistry applications. OYSI maintains reliable supply chains for 1-(bromomethyl)-4-methylbenzene to support European chemical manufacturers and research institutions requiring this specialized aromatic halide compound.

Safety & Classification

No Hazard Classification

This substance is not classified as hazardous according to CLP Regulation (EC) No 1272/2008.

Transport (ADR)

UN Number3417
ADR Class6.1
Packing GroupII
Tunnel CodeD/E
Proper Shipping Namep-Xylylbromid, flüssig*
Marine PollutantNo

Frequently Asked Questions

What is 1-(bromomethyl)-4-methylbenzene?

1-(bromomethyl)-4-methylbenzene is an organic halogenated compound with the molecular formula C8H9Br and CAS number 104-81-4. It consists of a benzene ring substituted with a methyl group at the para position and a bromomethyl group. This aromatic bromide has a molecular weight of 185.06 g/mol and serves as an important intermediate in organic synthesis and pharmaceutical manufacturing.

What are the physicochemical properties of 1-(bromomethyl)-4-methylbenzene?

1-(bromomethyl)-4-methylbenzene is typically a colorless to pale yellow liquid at room temperature with a characteristic aromatic odor. It has limited solubility in water due to its organic nature but dissolves readily in organic solvents such as alcohols, ethers, and hydrocarbons. The compound is relatively stable under normal conditions but can undergo nucleophilic substitution reactions due to the reactive bromomethyl group.

What is 1-(bromomethyl)-4-methylbenzene used for?

1-(bromomethyl)-4-methylbenzene is primarily used as an intermediate in organic synthesis and pharmaceutical manufacturing. It serves as a building block for the production of various chemicals, including pharmaceuticals, agrochemicals, and specialty chemicals. The reactive bromomethyl group makes it valuable for nucleophilic substitution reactions, allowing the introduction of different functional groups in synthetic pathways.

How to handle 1-(bromomethyl)-4-methylbenzene safely?

Safe handling of 1-(bromomethyl)-4-methylbenzene requires appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work should be conducted in well-ventilated areas or under fume hoods to avoid inhalation. Avoid skin and eye contact, and prevent ingestion. Use non-sparking tools and equipment, and ensure proper grounding to prevent static electricity buildup during handling operations.

How to store 1-(bromomethyl)-4-methylbenzene correctly?

1-(bromomethyl)-4-methylbenzene should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources, ignition sources, and direct sunlight. Keep containers upright and secure to prevent spillage. Store away from incompatible materials such as strong oxidizing agents, strong bases, and metals. Ensure storage areas are equipped with appropriate spill containment measures and emergency equipment.

What to do in case of contact with 1-(bromomethyl)-4-methylbenzene?

In case of skin contact with 1-(bromomethyl)-4-methylbenzene, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult emergency services if symptoms persist.

How to dispose of 1-(bromomethyl)-4-methylbenzene appropriately?

1-(bromomethyl)-4-methylbenzene must be disposed of in accordance with local, national, and international waste regulations as hazardous chemical waste. Do not discharge into drains, water courses, or onto the ground. Contact licensed waste disposal companies for proper treatment and disposal. Small quantities may require incineration at authorized facilities equipped to handle halogenated organic compounds. Always consult local environmental authorities for specific disposal requirements.

How to transport 1-(bromomethyl)-4-methylbenzene?

1-(bromomethyl)-4-methylbenzene is classified under ADR Class 6.1 (Toxic substances) Packing Group II for transport. It must be packaged in UN-approved containers and properly labeled with appropriate hazard placards. Transport documents must include the correct shipping name, UN number, and hazard class. Only authorized carriers with proper training and equipment should handle the transportation, following all applicable dangerous goods regulations.

Is 1-(bromomethyl)-4-methylbenzene subject to specific regulations?

1-(bromomethyl)-4-methylbenzene is subject to various chemical regulations including REACH registration requirements in the European Union. It must comply with CLP (Classification, Labelling and Packaging) regulations for proper identification and labeling. The compound is not currently listed as a Substance of Very High Concern (SVHC). Users must ensure compliance with local occupational health and safety regulations and environmental protection laws in their respective jurisdictions.

Where to buy 1-(bromomethyl)-4-methylbenzene in Europe?

1-(bromomethyl)-4-methylbenzene is available through OYSI, a trusted European distributor of specialty chemicals and intermediates. OYSI provides high-quality chemical products to industrial customers across Europe, ensuring proper documentation, regulatory compliance, and technical support. Contact OYSI directly for availability, specifications, packaging options, and delivery arrangements. Professional customers can rely on OYSI's expertise in chemical distribution and regulatory knowledge.

Data Sources

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