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Methyl 3,4-bis(bromomethyl)benzoate - 97%, high purity , CAS No.20896-23-5
Basic Description
| Synonyms | methyl 3,4-bis(bromomethyl)benzoate | 20896-23-5 | Benzoic acid, 3,4-bis(bromomethyl)-, methyl ester | methyl 3,4-bis-(bromomethyl)benzoate | METHYL3,4-BIS(BROMOMETHYL)BENZOATE | SCHEMBL1028046 | DTXSID40371625 | PZOQMRZOUBBQFO-UHFFFAOYSA-N | MFCD00219865 | AKOS002254645 | P |
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| Specifications & Purity | ≥97% |
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| Shipped In | Normal |
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Names and Identifiers
| IUPAC Name | methyl 3,4-bis(bromomethyl)benzoate |
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| INCHI | InChI=1S/C10H10Br2O2/c1-14-10(13)7-2-3-8(5-11)9(4-7)6-12/h2-4H,5-6H2,1H3 |
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| InChi Key | PZOQMRZOUBBQFO-UHFFFAOYSA-N |
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| Canonical SMILES | COC(=O)C1=CC(=C(C=C1)CBr)CBr |
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| Isomeric SMILES | COC(=O)C1=CC(=C(C=C1)CBr)CBr |
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| PubChem CID | 2736819 |
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| Molecular Weight | 322 |
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Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
| Molecular Weight | 321.990 g/mol |
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| XLogP3 | 2.900 |
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| Hydrogen Bond Donor Count | 0 |
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| Hydrogen Bond Acceptor Count | 2 |
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| Rotatable Bond Count | 4 |
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| Exact Mass | 321.903 Da |
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| Monoisotopic Mass | 319.905 Da |
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| Topological Polar Surface Area | 26.300 Ų |
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| Heavy Atom Count | 14 |
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| Formal Charge | 0 |
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| Complexity | 197.000 |
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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) | GHS07 |
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| Signal | Warning |
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| Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation H302:Harmful if swallowed H312:Harmful in contact with skin H332:Harmful if inhaled |
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| Precautionary Statements | P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P270:Do not eat, drink or smoke when using this product. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P330:Rinse mouth. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P301+P317:IF SWALLOWED: Get medical help. P317:Get emergency medical help. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell. |
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