Lot numbers can be found on the outside label of a product:
Methyl 4-bromo-2-methylbenzoate
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CAS No. 99548-55-7
- Cat. No. CS-W003703
- Purity≥98%
- MDL No.MFCD09954957
*For research and further manufacturing use only, not for direct human use.
Structure of 99548-55-7
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General Information
- CAS No. 99548-55-7
- Cat. No. CS-W003703
- Purity ≥98%
- MDL No. MFCD09954957
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₉BrO₂
- Molecular Weight 229.07
- Synonym(s) Benzoic acid,4-bromo-2-methyl-,methyl ester
- SMILES CC1=CC(Br)=CC=C1C(OC)=O
Description
Crystal Violet is used as an acid-base indicator, alcohol denaturant, biological stain, textile dye, and an indicator for copper salts. It is a component of gram staining in microorganisms and cell lines.
Application
Methyl 4-bromo-2-methylbenzoate serves as a versatile building block in medicinal chemistry and materials synthesis, enabling palladium-catalyzed cross-coupling reactions due to its well-established bromine reactivity. The methyl ester group provides compatibility with standard hydrolysis and derivatization protocols, while the ortho-methyl substituent enhances regiochemical control in subsequent functionalizations. Its bench-stable nature and ease of purification support reliable use in multi-step syntheses and process-scale applications.
Synthesis
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Route1
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In-stock
68837-59-2 -
18107-18-1 - ~99%
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In-stock
99548-55-7
References
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EXELIXIS, INC. Patent: WO2009/55077 A1, 2009 ; Location in patent: Page/Page column 430 ;
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Route2
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In-stock
68837-59-2
- ~99%
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In-stock
99548-55-7
References
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Li, Qun; Woods, Keith W.; Zhu, Gui-Dong; Fischer, John P.; Gong, Jianchun; Li, Tongmei; Gandhi, Virajkumar; Thomas, Sheela A.; Packard, Garrick K.; Song, Xiaohong; Abrams, Jason N.; Diebold, Robert; Dinges, Jurgen; Hutchins, Charles; Stoll, Vincent S.; Rosenberg, Saul H.; Giranda, Vincent L. Patent: US2003/187026 A1, 2003 ; US 20030187026 A1
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Route3
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In-stock
68837-59-2
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74-88-4
- ~99%
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In-stock
99548-55-7
References
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CELGENE CORPORATION Patent: WO2008/27542 A2, 2008 ; Location in patent: Page/Page column 89-90 ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 26.3
- LogP 2.54412
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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