Cas no 117654-19-0 (3-bromo-5-methylbenzene-1,2-diol)
3-Bromo-5-methylbenzene-1,2-diol is a brominated dihydroxy toluene derivative with applications in organic synthesis and pharmaceutical intermediates. Its key structural features include a bromine substituent at the 3-position and a methyl group at the 5-position, which enhance its reactivity in electrophilic aromatic substitution and coupling reactions. The ortho-diol (1,2-diol) moiety provides chelating properties, making it useful in metal coordination chemistry. This compound is valued for its versatility in constructing complex molecular frameworks, particularly in medicinal chemistry for the development of bioactive molecules. High purity grades ensure consistent performance in research and industrial applications. Proper handling is advised due to potential sensitivity to oxidation.
117654-19-0 structure
Product Name:3-bromo-5-methylbenzene-1,2-diol
CAS No:117654-19-0
MF:C7H7BrO2
MW:203.033281564713
CID:132812
PubChem ID:20378982
Update Time:2025-06-08
3-bromo-5-methylbenzene-1,2-diol Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenediol, 3-bromo-5-methyl- (9CI)
- 1,2-Benzenediol,3-bromo-5-methyl-
- 3-bromo-5-methylbenzene-1,2-diol
- SCHEMBL11418582
- EN300-1599509
- 117654-19-0
- F74089
- DB-278698
- 1,2-Benzenediol, 3-bromo-5-methyl-
-
- Inchi： 1S/C7H7BrO2/c1-4-2-5(8)7(10)6(9)3-4/h2-3,9-10H,1H3
- InChI Key： SNSVZQWKMLTUIT-UHFFFAOYSA-N
- SMILES： BrC1C(=C(C=C(C)C=1)O)O
Computed Properties
- Exact Mass: 201.96291
- Monoisotopic Mass: 201.963
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 118
- 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
- Topological Polar Surface Area: 40.5A^2
- XLogP3: 2.3
Experimental Properties
- PSA: 40.46
3-bromo-5-methylbenzene-1,2-diol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1599509-50mg |
3-bromo-5-methylbenzene-1,2-diol |
117654-19-0 | 50mg |
$707.0 | 2023-09-23 | ||
| Enamine | EN300-1599509-100mg |
3-bromo-5-methylbenzene-1,2-diol |
117654-19-0 | 100mg |
$741.0 | 2023-09-23 | ||
| Enamine | EN300-1599509-250mg |
3-bromo-5-methylbenzene-1,2-diol |
117654-19-0 | 250mg |
$774.0 | 2023-09-23 | ||
| Enamine | EN300-1599509-500mg |
3-bromo-5-methylbenzene-1,2-diol |
117654-19-0 | 500mg |
$809.0 | 2023-09-23 | ||
| Enamine | EN300-1599509-1000mg |
3-bromo-5-methylbenzene-1,2-diol |
117654-19-0 | 1000mg |
$842.0 | 2023-09-23 | ||
| Enamine | EN300-1599509-2500mg |
3-bromo-5-methylbenzene-1,2-diol |
117654-19-0 | 2500mg |
$1650.0 | 2023-09-23 | ||
| Enamine | EN300-1599509-5000mg |
3-bromo-5-methylbenzene-1,2-diol |
117654-19-0 | 5000mg |
$2443.0 | 2023-09-23 | ||
| Enamine | EN300-1599509-10000mg |
3-bromo-5-methylbenzene-1,2-diol |
117654-19-0 | 10000mg |
$3622.0 | 2023-09-23 | ||
| Enamine | EN300-1599509-0.05g |
3-bromo-5-methylbenzene-1,2-diol |
117654-19-0 | 0.05g |
$707.0 | 2023-06-04 | ||
| Enamine | EN300-1599509-0.1g |
3-bromo-5-methylbenzene-1,2-diol |
117654-19-0 | 0.1g |
$741.0 | 2023-06-04 |
3-bromo-5-methylbenzene-1,2-diol Related Literature
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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