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7-Acetoxy-4-bromomethylcoumarin [for HPLC Labeling] - >98.0%(HPLC)(T), high purity , CAS No.2747-04-8
Basic Description
| Synonyms | InChI=1/C12H9BrO4/c1-7(14)16-9-2-3-10-8(6-13)4-12(15)17-11(10)5-9/h2-5H,6H2,1H | 7-Acetoxy-4-(bromomethyl)coumarin | T70703 | CCRIS 7995 | CHEMPACIFIC38168 | AKOS025293905 | Coumarin, 4-(bromomethyl)-7-hydroxy-, acetate | J-016774 | 4-(bromomethyl)-2-oxo- |
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| Specifications & Purity | ≥98%(HPLC)(T) |
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| Storage Temp | Argon charged |
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| Shipped In | Normal |
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Names and Identifiers
| Pubchem Sid | 504757745 |
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| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504757745 |
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| IUPAC Name | [4-(bromomethyl)-2-oxochromen-7-yl] acetate |
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| INCHI | InChI=1S/C12H9BrO4/c1-7(14)16-9-2-3-10-8(6-13)4-12(15)17-11(10)5-9/h2-5H,6H2,1H3 |
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| InChi Key | YDJFMNSSDOXBSR-UHFFFAOYSA-N |
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| Canonical SMILES | CC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)CBr |
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| Isomeric SMILES | CC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)CBr |
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| Molecular Weight | 297.1 |
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| Reaxy-Rn | 220616 |
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| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=220616&ln= |
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Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
| Sensitivity | light & Moisture sensitive |
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| Melt Point(°C) | 182 °C |
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| Molecular Weight | 297.100 g/mol |
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| XLogP3 | 2.200 |
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| Hydrogen Bond Donor Count | 0 |
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| Hydrogen Bond Acceptor Count | 4 |
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| Rotatable Bond Count | 3 |
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| Exact Mass | 295.968 Da |
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| Monoisotopic Mass | 295.968 Da |
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| Topological Polar Surface Area | 52.600 Ų |
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| Heavy Atom Count | 17 |
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| Formal Charge | 0 |
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| Complexity | 364.000 |
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| Isotope Atom Count | 0 |
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| Defined Atom Stereocenter Count | 0 |
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| Undefined Atom Stereocenter Count | 0 |
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| Defined Bond Stereocenter Count | 0 |
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| Undefined Bond Stereocenter Count | 0 |
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| The total count of all stereochemical bonds | 0 |
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| Covalently-Bonded Unit Count | 1 |
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Safety and Hazards(GHS)
| Pictogram(s) | GHS05 |
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| Signal | Danger |
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| Hazard Statements | H314:Causes severe skin burns and eye damage H318:Causes serious eye damage |
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| Precautionary Statements | P280:Wear protective gloves/protective clothing/eye protection/face protection. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P260:Do not breathe dust/fume/gas/mist/vapors/spray. P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P363:Wash contaminated clothing before reuse. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P305+P354+P338:IF IN EYES: Immediately rinse with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing. P317:Get emergency medical help. P302+P361+P354:IF ON SKIN: Take off Immediately all contaminated clothing. Immediately rinse with water for several minutes. P316:Get emergency medical help immediately. |
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| Reaxy-Rn | 220616 |
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| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=220616&ln= |
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Specifications
| Appearance（A151698） | White to Light yellow powder to crystal |
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| Purity(HPLC) | 98-100（%） |
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| Purity(Argentmetric Titration) | 97.5-102.5（%） |
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| Melting point | 182-186（℃） |
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