Cas no 50619-01-7 (3-amino-2,5-dimethylbenzene-1-sulfonic acid)
3-Amino-2,5-dimethylbenzene-1-sulfonic acid is a sulfonated aromatic compound featuring both amino and methyl functional groups. Its structure makes it a valuable intermediate in organic synthesis, particularly in the production of dyes, pigments, and specialty chemicals. The sulfonic acid group enhances solubility in aqueous media, while the amino group provides reactivity for further functionalization. The methyl substituents contribute to steric and electronic effects, influencing regioselectivity in reactions. This compound is often utilized in applications requiring precise molecular design, such as agrochemicals and pharmaceuticals. Its stability under acidic conditions and compatibility with diazotization reactions further broaden its utility in industrial processes.
50619-01-7 structure
Product Name:3-amino-2,5-dimethylbenzene-1-sulfonic acid
CAS No:50619-01-7
MF:C8H11NO3S
MW:201.242841005325
MDL:MFCD21602464
CID:364495
PubChem ID:12338306
Update Time:2025-06-07
3-amino-2,5-dimethylbenzene-1-sulfonic acid Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid, 3-amino-2,5-dimethyl-
- 3-amino-2,5-dimethylbenzenesulfonic acid
- 3-amino-2,5-dimethylbenzene-1-sulfonic acid
- DTXSID70491648
- CS-0350688
- SCHEMBL11038082
- EN300-95360
- 50619-01-7
-
- MDL： MFCD21602464
- Inchi： 1S/C8H11NO3S/c1-5-3-7(9)6(2)8(4-5)13(10,11)12/h3-4H,9H2,1-2H3,(H,10,11,12)
- InChI Key： NIQKJTUCOCEXIJ-UHFFFAOYSA-N
- SMILES： S(C1C=C(C)C=C(C=1C)N)(=O)(=O)O
Computed Properties
- Exact Mass: 201.04603
- Monoisotopic Mass: 201.04596439g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 270
- 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: 0.7
- Topological Polar Surface Area: 88.8?2
Experimental Properties
- PSA: 80.39
3-amino-2,5-dimethylbenzene-1-sulfonic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1421358-50mg |
3-Amino-2,5-dimethylbenzenesulfonic acid |
50619-01-7 | 98% | 50mg |
￥11016.00 | 2024-05-11 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1421358-100mg |
3-Amino-2,5-dimethylbenzenesulfonic acid |
50619-01-7 | 98% | 100mg |
￥11520.00 | 2024-05-11 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1421358-250mg |
3-Amino-2,5-dimethylbenzenesulfonic acid |
50619-01-7 | 98% | 250mg |
￥12060.00 | 2024-05-11 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1421358-500mg |
3-Amino-2,5-dimethylbenzenesulfonic acid |
50619-01-7 | 98% | 500mg |
￥12578.00 | 2024-05-11 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1421358-1g |
3-Amino-2,5-dimethylbenzenesulfonic acid |
50619-01-7 | 98% | 1g |
￥13082.00 | 2024-05-11 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1421358-2.5g |
3-Amino-2,5-dimethylbenzenesulfonic acid |
50619-01-7 | 98% | 2.5g |
￥25704.00 | 2024-05-11 | |
| Enamine | EN300-95360-0.05g |
3-amino-2,5-dimethylbenzene-1-sulfonic acid |
50619-01-7 | 95% | 0.05g |
$528.0 | 2024-05-21 | |
| Enamine | EN300-95360-0.1g |
3-amino-2,5-dimethylbenzene-1-sulfonic acid |
50619-01-7 | 95% | 0.1g |
$553.0 | 2024-05-21 | |
| Enamine | EN300-95360-0.25g |
3-amino-2,5-dimethylbenzene-1-sulfonic acid |
50619-01-7 | 95% | 0.25g |
$579.0 | 2024-05-21 | |
| Enamine | EN300-95360-0.5g |
3-amino-2,5-dimethylbenzene-1-sulfonic acid |
50619-01-7 | 95% | 0.5g |
$603.0 | 2024-05-21 |
3-amino-2,5-dimethylbenzene-1-sulfonic acid Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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