Determine the necessary mass, volume, or concentration for preparing a solution.
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Basic Description
| Synonyms | 4-(4-Fluorophenyl)benzoic acid | 5731-10-2 | 4'-fluorobiphenyl-4-carboxylic acid | 4'-Fluoro-biphenyl-4-carboxylic acid | 4'-Fluoro-[1,1'-biphenyl]-4-carboxylic acid | 4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID | 1UPF6UD3CR | 4-Biphenyl-4'-fluoro-carboxylic acid | CHEMBL1 |
|---|---|
| Specifications & Purity | ≥98% |
| Storage Temp | Room temperature |
| Shipped In | Normal |
Product Properties
| pKa | pKₐ: 4.14 (Predicted) |
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Associated Targets(Human)
VEGFA Tclin Vascular endothelial growth factor A (159 Activities)
BAD Tchem Bcl2-antagonist of cell death (BAD) (147 Activities)
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BCL2L1 Tchem Apoptosis regulator Bcl-X (2604 Activities)
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BCL2 Tclin Apoptosis regulator Bcl-2 (3787 Activities)
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MCL1 Tchem Induced myeloid leukemia cell differentiation protein Mcl-1 (3820 Activities)
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BCL2L2 Tchem Apoptosis regulator Bcl-W (121 Activities)
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Associated Targets(non-human)
Ttr Transthyretin (14 Activities)
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E2 Human papillomavirus regulatory protein E2 (38 Activities)
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Staphylococcus aureus (210822 Activities)
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Escherichia coli (133304 Activities)
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Aspergillus niger (16508 Activities)
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Bacillus subtilis (32866 Activities)
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Human papillomavirus (81 Activities)
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Curvularia lunata (722 Activities)
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Pleurotus ostreatus (29 Activities)
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Acinetobacter baylyi (12 Activities)
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Names and Identifiers
| IUPAC Name | 4-(4-fluorophenyl)benzoic acid |
|---|---|
| INCHI | InChI=1S/C13H9FO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16) |
| InChi Key | LXWNTLBMNCXRQN-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC(=CC=C1C2=CC=C(C=C2)F)C(=O)O |
| Isomeric SMILES | C1=CC(=CC=C1C2=CC=C(C=C2)F)C(=O)O |
| WGK Germany | 2 |
| PubChem CID | 2782689 |
| Molecular Weight | 216.21 |
Certificates
Certificate of Analysis(COA)
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Chemical and Physical Properties
| Solubility | Soluble in chloroform. Insoluble in water. |
|---|---|
| Refractive Index | n20D~1.59 (Predicted) |
| Boil Point(°C) | ~369.4° C at 760 mmHg (Predicted) |
| Melt Point(°C) | 241-243° C |
Safety and Hazards(GHS)
| Pictogram(s) | GHS07 |
|---|---|
| Signal | Warning |
| Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation H302:Harmful if swallowed |
| 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. 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. |
| WGK Germany | 2 |