Lot numbers can be found on the outside label of a product:
1-(5-Bromo-2-nitrophenyl)ethanone
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CAS No. 41877-24-1
- Cat. No. CS-0040255
- Purity≥95%
- MDL No.MFCD10698995
*For research and further manufacturing use only, not for direct human use.
Structure of 41877-24-1
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General Information
- CAS No. 41877-24-1
- Cat. No. CS-0040255
- Purity ≥95%
- MDL No. MFCD10698995
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₆BrNO₃
- Molecular Weight 244.04
- Synonym(s) 5-BroMo-2-nitroacetophenone (1-(5-broMo-2-nitrophenyl)-ethanone)
- SMILES CC(C1=CC(Br)=CC=C1[N+]([O-])=O)=O
Description
1-(5-Bromo-2-nitrophenyl)ethanone features a brominated aromatic ring paired with a nitro group in the ortho position relative to the acetyl linkage, delivering enhanced electrophilicity and stability under standard conditions. This configuration enables efficient coupling in cross-coupling reactions and facilitates incorporation into complex molecular architectures requiring electron-deficient aryl motifs.
Application
1-(5-Bromo-2-nitrophenyl)ethanone serves as a versatile building block in medicinal chemistry and heterocyclic synthesis. The molecule combines a bromo substituent for late-stage functionalization and a nitro group amenable to reduction, enabling access to diverse aniline derivatives. Its stability under standard reaction conditions facilitates straightforward purification and integration into multi-step sequences. Functions effectively in cross-coupling and cyclization reactions, supporting the construction of biologically relevant scaffolds.
Synthesis
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Route1
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In-stock
16994-13-1 - ~73%
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In-stock
41877-24-1
References
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Samsung Electronics Co., Ltd. Patent: US7566773 B2, 2009 ; Location in patent: Page/Page column 12 ;
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Route2
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1020575-89-6 - ~74%
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In-stock
41877-24-1
References
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SmithKline Beecham Corporation Patent: US2008/96921 A1, 2008 ; Location in patent: Page/Page column 84 ;
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Route3
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861611-98-5 - ~73%
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In-stock
41877-24-1
References
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Chi, Sung-Min; Hah, Jung-hwan; Kim, Kyoung-seon; Kim, Won-sun; Choi, Sang-jun; Ryoo, Man-hyoung Patent: US2008/57489 A1, 2008 ;
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Safety Information
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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 60.21
- LogP 2.5599
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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