Lot numbers can be found on the outside label of a product:
4-Bromo-3-methylbenzene-1,2-diamine
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CAS No. 952511-74-9
- Cat. No. CS-W022104
- Purity≥97%
- MDL No.MFCD18642364
*For research and further manufacturing use only, not for direct human use.
Structure of 952511-74-9
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General Information
- CAS No. 952511-74-9
- Cat. No. CS-W022104
- Purity ≥97%
- MDL No. MFCD18642364
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₉BrN₂
- Molecular Weight 201.06
- Synonym(s) 4-Bromo-3-methyl-1,2-benzenediamine
- SMILES CC1=C(Br)C=CC(N)=C1N
Description
4-Bromo-3-methylbenzene-1,2-diamine features a brominated, methyl-substituted benzene core with ortho-diamine functionality. This electron-rich scaffold integrates readily into heterocyclic systems and serves as a key intermediate in the synthesis of bioactive molecules and functional materials.
Application
4-Bromo-3-methylbenzene-1,2-diamine serves as a versatile building block in medicinal chemistry and materials science, enabling the synthesis of substituted benzimidazoles, heterocyclic scaffolds, and functionalized aromatic systems. The ortho-diamine functionality facilitates cyclization reactions with carboxylic acid derivatives and carbonyl compounds under mild conditions. Its bromo and methyl substituents offer complementary sites for further diversification via cross-coupling and electrophilic substitution, enhancing structural complexity in target molecules. The compound exhibits good bench stability and is amenable to standard purification techniques, making it well-suited for iterative synthetic workflows.
Synthesis
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Route1
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55289-36-6 - ~%
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In-stock
952511-74-9
References
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ABBOTT LABORATORIES; KRUEGER, Allan, C.; KATI, Warren, M.; CARROLL, William, A.; PRATT, John, K.; HUTCHINSON, Douglas, K. Patent: WO2012/83170 A1, 2012 ;
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Route2
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1325729-87-0 - ~%
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In-stock
952511-74-9
References
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ABBOTT LABORATORIES; KRUEGER, Allan, C.; KATI, Warren, M.; CARROLL, William, A.; PRATT, John, K.; HUTCHINSON, Douglas, K. Patent: WO2012/83170 A1, 2012 ;
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Route3
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In-stock
55289-35-5 - ~%
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In-stock
952511-74-9
References
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F. HOFFMANN-LA ROCHE AG; ALIAGAS-MARTIN, Ignacio; CRAWFORD, James; LEE, Wendy; MATHIEU, Simon; RUDOLPH, Joachim Patent: WO2013/26914 A1, 2013 ; WO 2013/026914 A1
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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 52.04
- LogP 1.92192
- H_Acceptors 2
- H_Donors 2
- Rotatable_Bonds 0
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Key Words
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