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trans-2,6-Difluorocinnamic Acid - >95.0%(GC), high purity , CAS No.102082-89-3
Basic Description
| Synonyms | 3-(2,6-difluorophenyl)prop-2-enoic acid | AKOS000141830 | J-501872 | MFCD00010319 | MFCD00048089 | (2E)-3-(2,6-Difluorophenyl)-2-propenoic acid # | BRN 2803196 | (2E)-3-(2,6-Difluorophenyl)-2-propenoic acid | (E)-3-(2,6-difluorophenyl)prop-2-enoic acid | |
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| Specifications & Purity | ≥95%(GC) |
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| Shipped In | Normal |
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| Product Description | trans-2,6-Difluorocinnamic acid may be used in chemical synthesis. |
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Names and Identifiers
| Pubchem Sid | 488195492 |
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| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488195492 |
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| IUPAC Name | (E)-3-(2,6-difluorophenyl)prop-2-enoic acid |
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| INCHI | InChI=1S/C9H6F2O2/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-5H,(H,12,13)/b5-4+ |
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| InChi Key | JMUOYANNVIFGFN-SNAWJCMRSA-N |
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| Canonical SMILES | C1=CC(=C(C(=C1)F)C=CC(=O)O)F |
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| Isomeric SMILES | C1=CC(=C(C(=C1)F)/C=C/C(=O)O)F |
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| WGK Germany | 3 |
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| PubChem CID | 5372267 |
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| Molecular Weight | 184.14 |
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Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
| Solubility | Soluble in Methanol |
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| Melt Point(°C) | 122 °C |
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| Molecular Weight | 184.140 g/mol |
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| XLogP3 | 2.100 |
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| Hydrogen Bond Donor Count | 1 |
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| Hydrogen Bond Acceptor Count | 4 |
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| Rotatable Bond Count | 2 |
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| Exact Mass | 184.034 Da |
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| Monoisotopic Mass | 184.034 Da |
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| Topological Polar Surface Area | 37.300 Ų |
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| Heavy Atom Count | 13 |
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| Formal Charge | 0 |
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| Complexity | 206.000 |
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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 | 1 |
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| Undefined Bond Stereocenter Count | 0 |
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| The total count of all stereochemical bonds | 1 |
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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 |
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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. 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. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. 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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| WGK Germany | 3 |
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