Cas no 1131594-10-9 (3-Bromo-4-(isobutylamino)benzoic acid)
3-Bromo-4-(isobutylamino)benzoic acid is a brominated benzoic acid derivative featuring an isobutylamino substituent at the 4-position. This compound is primarily utilized as an intermediate in organic synthesis and pharmaceutical research, where its functional groups enable further derivatization or coupling reactions. The bromine atom enhances reactivity for cross-coupling processes, while the carboxylic acid moiety allows for esterification or amidation. Its structural properties make it valuable in the development of bioactive molecules or specialized materials. The product is typically characterized by high purity and stability under standard storage conditions, ensuring consistent performance in synthetic applications. Proper handling is advised due to potential reactivity.
1131594-10-9 structure
Product Name:3-Bromo-4-(isobutylamino)benzoic acid
CAS No:1131594-10-9
MF:C11H14BrNO2
MW:272.138362407684
CID:1030493
PubChem ID:45072099
Update Time:2025-10-19
3-Bromo-4-(isobutylamino)benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-Bromo-4-(isobutylamino)benzoic acid
- 3-bromo-4-(2-methylpropylamino)benzoic acid
- 1131594-10-9
- DTXSID20662366
- DB-366121
- 3-Bromo-4-(isobutylamino)benzoicacid
- AKOS015841680
- 3-Bromo-4-[(2-methylpropyl)amino]benzoic acid
-
- Inchi： 1S/C11H14BrNO2/c1-7(2)6-13-10-4-3-8(11(14)15)5-9(10)12/h3-5,7,13H,6H2,1-2H3,(H,14,15)
- InChI Key： GMFZGXDWHXZXOO-UHFFFAOYSA-N
- SMILES： BrC1C=C(C(=O)O)C=CC=1NCC(C)C
Computed Properties
- Exact Mass: 271.02079g/mol
- Monoisotopic Mass: 271.02079g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 221
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 49.3?2
3-Bromo-4-(isobutylamino)benzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019094624-1g |
3-Bromo-4-(isobutylamino)benzoic acid |
1131594-10-9 | 95% | 1g |
$400.00 | 2023-09-04 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1757638-1g |
3-Bromo-4-(isobutylamino)benzoic acid |
1131594-10-9 | 98% | 1g |
￥1812.00 | 2024-08-09 | |
| Crysdot LLC | CD12179366-5g |
3-Bromo-4-(isobutylamino)benzoic acid |
1131594-10-9 | 95+% | 5g |
$662 | 2024-07-23 |
3-Bromo-4-(isobutylamino)benzoic acid Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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