Cas no 13070-25-2 (2-Bromo-5-methylcyclohexa-2,5-diene-1,4-dione)
2-Bromo-5-methylcyclohexa-2,5-diene-1,4-dione is a brominated quinone derivative with applications in organic synthesis and pharmaceutical research. Its reactive diene and quinone functionalities make it a valuable intermediate for constructing complex molecular frameworks, particularly in the development of bioactive compounds. The bromine substituent enhances electrophilic reactivity, facilitating selective substitution reactions. This compound exhibits stability under controlled conditions, ensuring reliable handling in laboratory settings. Its structural features allow for further functionalization, making it useful in cross-coupling and cycloaddition reactions. Suitable for use in fine chemical synthesis, it offers researchers a versatile building block for exploring novel chemical pathways. Proper storage in cool, dry conditions is recommended to maintain integrity.
13070-25-2 structure
Product Name:2-Bromo-5-methylcyclohexa-2,5-diene-1,4-dione
CAS No:13070-25-2
MF:C7H5BrO2
MW:201.017401456833
CID:119262
PubChem ID:2729629
Update Time:2025-06-07
2-Bromo-5-methylcyclohexa-2,5-diene-1,4-dione Chemical and Physical Properties
Names and Identifiers
-
- 2-Bromo-5-methylcyclohexa-2,5-diene-1,4-dione
- 2,5-Cyclohexadiene-1,4-dione,2-bromo-5-methyl-
- 2-Bromo-5-methyl-1,4-benzoquinone
- 2-Bromo-5-methyl-p-quinone
- 5-Bromotoluquinone
- 5-BROMO-2-METHYL-1,4-BENZOQUINONE
- 2-Bromo-5-methyl-p-quinone 5-Bromotoluquinone
- 2-BROMO-5-METHYL-1,4-BENZOQUINONE 98+%
- HMS561K13
- Maybridge1_007097
- 2-BROMO-5-METHYL-(1,4)BENZOQUINONE
- GELQQGMYSDRBHC-UHFFFAOYSA-N
- AKOS005203317
- FT-0636787
- 13070-25-2
- MFCD00189378
- 2,5-Cyclohexadiene-1,4-dione, 2-bromo-5-methyl-
- DTXSID00369604
- SCHEMBL5162553
- DB-041981
-
- MDL： MFCD00189378
- Inchi： 1S/C7H5BrO2/c1-4-2-7(10)5(8)3-6(4)9/h2-3H,1H3
- InChI Key： GELQQGMYSDRBHC-UHFFFAOYSA-N
- SMILES： BrC1=CC(C(C)=CC1=O)=O
Computed Properties
- Exact Mass: 199.94700
- Monoisotopic Mass: 199.94729g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 261
- 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
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: nothing
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- Color/Form: Not determined
- Density: 1.727
- Melting Point: 106 °C
- Boiling Point: 238.5°C at 760 mmHg
- Flash Point: 95.9°C
- Refractive Index: 1.596
- PSA: 34.14000
- LogP: 1.36330
- Solubility: Not determined
2-Bromo-5-methylcyclohexa-2,5-diene-1,4-dione Customs Data
- HS CODE：2914700090
- Customs Data：
China Customs Code:
2914700090Overview:
2914700090 Halogenation of other ketones and quinones\Sulfonated derivative(Including nitrated and nitrosative derivatives). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acetone declared packaging
Summary:
HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%
2-Bromo-5-methylcyclohexa-2,5-diene-1,4-dione Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM203946-5g |
2-bromo-5-methylcyclohexa-2,5-diene-1,4-dione |
13070-25-2 | 95% | 5g |
$*** | 2023-03-31 | |
| Chemenu | CM203946-10g |
2-bromo-5-methylcyclohexa-2,5-diene-1,4-dione |
13070-25-2 | 95% | 10g |
$*** | 2023-03-31 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1621014-5g |
2-Bromo-5-methylcyclohexa-2,5-diene-1,4-dione |
13070-25-2 | 98% | 5g |
￥7307.00 | 2024-08-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1621014-10g |
2-Bromo-5-methylcyclohexa-2,5-diene-1,4-dione |
13070-25-2 | 98% | 10g |
￥11953.00 | 2024-08-09 |
2-Bromo-5-methylcyclohexa-2,5-diene-1,4-dione Related Literature
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1. Bromoquinone–enaminone annulations: syntheses of murrayaquinone-A and (±)-bismurrayaquinone-AWilliam S. Murphy,Martial Bertrand J. Chem. Soc. Perkin Trans. 1 1998 4115
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Christophe Morin,Tatiana Besset,Jean-Claude Moutet,Martine Fayolle,Margit Brückner,Danièle Limosin,Katja Becker,Elisabeth Davioud-Charvet Org. Biomol. Chem. 2008 6 2731
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Don Antoine Lanfranchi,Elena Cesar-Rodo,Beno?t Bertrand,Hsin-Hung Huang,Latasha Day,Laure Johann,Mourad Elhabiri,Katja Becker,David L. Williams,Elisabeth Davioud-Charvet Org. Biomol. Chem. 2012 10 6375
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