Cas no 135611-31-3 (3-(1H-imidazol-1-ylmethyl)benzoic acid)
3-(1H-Imidazol-1-ylmethyl)benzoic acid is a versatile organic compound featuring a benzoic acid core substituted with an imidazolylmethyl group at the 3-position. This structure imparts unique reactivity, making it valuable as an intermediate in pharmaceutical and agrochemical synthesis. The imidazole moiety offers coordination and hydrogen-bonding capabilities, while the carboxylic acid group enables further functionalization via esterification or amidation. Its balanced polarity ensures solubility in both organic and aqueous media, facilitating diverse reaction conditions. The compound is particularly useful in designing biologically active molecules, such as enzyme inhibitors or metal-chelating agents, due to its heterocyclic and carboxylate functionalities. High purity grades are available for research and industrial applications.
135611-31-3 structure
Product Name:3-(1H-imidazol-1-ylmethyl)benzoic acid
CAS No:135611-31-3
MF:C11H10N2O2
MW:202.209302425385
MDL:MFCD07643273
CID:1105211
PubChem ID:6484269
Update Time:2025-10-06
3-(1H-imidazol-1-ylmethyl)benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-(1H-imidazol-1-ylmethyl)-Benzoic acid
- 3-((1H-imidazol-1-yl)methyl)benzoic acid
- 3-IMIDAZOL-1-YLMETHYL-BENZOIC ACID
- Z316899206
- 3-(1H-imidazol-1-ylmethyl)benzoicacid
- 3-imidazol-1-ylmethyl-benzoic acid, AldrichCPR
- DA-11545
- 3-[(1H-imidazol-1-yl)methyl]benzoic acid
- 135611-31-3
- EN300-40404
- CHEMBL351673
- 3-(imidazol-1-ylmethyl)benzoic acid
- AKOS000185080
- HMS1699K02
- 3-(1H-imidazol-1-ylmethyl)benzoic acid
- SCHEMBL9853963
-
- MDL： MFCD07643273
- Inchi： 1S/C11H10N2O2/c14-11(15)10-3-1-2-9(6-10)7-13-5-4-12-8-13/h1-6,8H,7H2,(H,14,15)
- InChI Key： IGQPNWMJMSQCKW-UHFFFAOYSA-N
- SMILES： OC(C1=CC=CC(=C1)CN1C=NC=C1)=O
Computed Properties
- Exact Mass: 202.074227566g/mol
- Monoisotopic Mass: 202.074227566g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 233
- 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: 1.1
- Topological Polar Surface Area: 55.1?2
3-(1H-imidazol-1-ylmethyl)benzoic acid Security Information
-
Hazardous Material Identification：
- HazardClass：IRRITANT
3-(1H-imidazol-1-ylmethyl)benzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | I385815-25mg |
3-(1H-imidazol-1-ylmethyl)benzoic acid |
135611-31-3 | 25mg |
$ 50.00 | 2022-06-04 | ||
| TRC | I385815-50mg |
3-(1H-imidazol-1-ylmethyl)benzoic acid |
135611-31-3 | 50mg |
$ 70.00 | 2022-06-04 | ||
| TRC | I385815-250mg |
3-(1H-imidazol-1-ylmethyl)benzoic acid |
135611-31-3 | 250mg |
$ 275.00 | 2022-06-04 | ||
| Matrix Scientific | 019287-1g |
3-Imidazol-1-ylmethyl-benzoic acid |
135611-31-3 | 1g |
$485.00 | 2023-09-11 | ||
| Enamine | EN300-40404-0.05g |
3-[(1H-imidazol-1-yl)methyl]benzoic acid |
135611-31-3 | 95.0% | 0.05g |
$32.0 | 2025-02-20 | |
| Enamine | EN300-40404-0.1g |
3-[(1H-imidazol-1-yl)methyl]benzoic acid |
135611-31-3 | 95.0% | 0.1g |
$46.0 | 2025-02-20 | |
| Enamine | EN300-40404-0.25g |
3-[(1H-imidazol-1-yl)methyl]benzoic acid |
135611-31-3 | 95.0% | 0.25g |
$66.0 | 2025-02-20 | |
| Enamine | EN300-40404-0.5g |
3-[(1H-imidazol-1-yl)methyl]benzoic acid |
135611-31-3 | 95.0% | 0.5g |
$104.0 | 2025-02-20 | |
| Enamine | EN300-40404-1.0g |
3-[(1H-imidazol-1-yl)methyl]benzoic acid |
135611-31-3 | 95.0% | 1.0g |
$133.0 | 2025-02-20 | |
| Enamine | EN300-40404-2.5g |
3-[(1H-imidazol-1-yl)methyl]benzoic acid |
135611-31-3 | 95.0% | 2.5g |
$269.0 | 2025-02-20 |
3-(1H-imidazol-1-ylmethyl)benzoic acid Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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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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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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