2-Fluorophenylacetic acid - CAS 451-82-1
Catalog: |
BB025782 |
Product Name: |
2-Fluorophenylacetic acid |
CAS: |
451-82-1 |
Synonyms: |
2-(2-fluorophenyl)acetic acid |
IUPAC Name: | 2-(2-fluorophenyl)acetic acid |
Description: | 2-Fluorophenylacetic acid (CAS# 451-82-1) is used as a geothermal tracers to track fluid movements and chemical changes in reinjected brines. |
Molecular Weight: | 154.14 |
Molecular Formula: | C8H7FO2 |
Canonical SMILES: | C1=CC=C(C(=C1)CC(=O)O)F |
InChI: | InChI=1S/C8H7FO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11) |
InChI Key: | RPTRFSADOICSSK-UHFFFAOYSA-N |
Boiling Point: | 259.6 °C at 760 mmHg |
Melting Point: | 61-65 °C |
Purity: | 97 % |
Density: | 1.272 g/cm3 |
Appearance: | White to off-white shiny crystals or crystalline |
Storage: | Store in a cool, dry place. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00004315 |
LogP: | 1.45280 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (19.15%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (19.15%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112851536-A | Method for constructing amide bond by clicking pyrimidine condensing agent and application of method in amide and polypeptide synthesis | 20210104 |
WO-2021170886-A2 | Electronic device | 20200806 |
JP-2021134343-A | A reactive mixture containing a plurality of reactive components and a polymer having an aryl ether ketone structure obtained from this mixture. | 20200227 |
CN-111138370-A | Naphthalene ring-aminopyrimidine compound and preparation method and application thereof | 20200210 |
CN-111205236-A | Naphthalene ring-isoxazole type compound and preparation method and application thereof | 20200210 |
PMID | Publication Date | Title | Journal |
19371012 | 20090101 | [Chemical toxicological analysis of haloperidol metabolite 4-(4-chlorophenyl)-4-hydroxypipiridine in urine by high-performance liquid chromatography] | Sudebno-meditsinskaia ekspertiza |
12227788 | 20020920 | An efficient and large-scale enantioselective synthesis of PNP405: a purine nucleoside phosphorylase inhibitor | The Journal of organic chemistry |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.04300762 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.04300762 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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