3-Bromo-4-methylbenzonitrile(CAS: 42872-74-2)

CAS Number
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Basic Information
Molecular Formula
C8H6BrN
Molecular Weight
196.04 g/mol
Physical Properties
Melting Point
41-45 °C (lit.)
Boiling Point
259℃ at 760 mmHg
Water Solubility
Insoluble in water.
Chemical Identifiers
SMILES
CC1=C(C=C(C=C1)C#N)Br
InChIKey
VXUMRYMTYKDWMO-UHFFFAOYSA-N
Database References
MDL Number
MFCD06797818
FAQ
3-Bromo-4-methylbenzonitrile (CAS: 42872-74-2) is subject to regulatory guidelines under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations, and FDA/EPA requirements. GHS classification includes flammability and environmental hazards. REACH requires registration for producers and importers. FDA regulates its use in food-related applications, while EPA oversees its environmental impact and disposal methods.
Several alternatives to 3-Bromo-4-methylbenzonitrile (CAS: 42872-74-2) exist in synthesis, including 3-Methyl-4-bromobenzonitrile, 3-Bromo-4-ethylbenzonitrile, and 4-Bromo-3-methylbenzonitrile. These can be used as substitutes depending on the desired properties. Common alternative reagents include n-bromosuccinimide (NBS) and N-iodosuccinimide (NIS) for bromination steps.
The market for 3-Bromo-4-methylbenzonitrile (CAS: 42872-74-2) shows steady demand in pharmaceutical and agrochemical industries. Recent research trends focus on its potential as a precursor in medicinal chemistry and as an intermediate in the synthesis of bioactive compounds. Price trends reflect growing interest and demand, with a slight increase due to its specialized use cases.
Waste containing 3-Bromo-4-methylbenzonitrile (CAS: 42872-74-2) should be collected in a sealed, non-leaking container and stored in a well-ventilated area. Incineration is a common method for disposal, but professional waste disposal services are recommended to ensure compliance with environmental regulations. Precautions include wearing appropriate personal protective equipment (PPE) and following local and national disposal guidelines to minimize environmental impact.
Safety Notice
Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.
Always follow proper handling procedures
Contact Information
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