Ethyl 4-fluorobenzoate - CAS 451-46-7
Catalog: |
BB025777 |
Product Name: |
Ethyl 4-fluorobenzoate |
CAS: |
451-46-7 |
Synonyms: |
ethyl 4-fluorobenzoate |
IUPAC Name: | ethyl 4-fluorobenzoate |
Description: | Ethyl 4-fluorobenzoate (CAS# 451-46-7) is a reactant used in the preparation of 5-aryl-1,2,4-triazole-3-thione derivatives with antimicrobial activity. |
Molecular Weight: | 168.16 |
Molecular Formula: | C9H9FO2 |
Canonical SMILES: | CCOC(=O)C1=CC=C(C=C1)F |
InChI: | InChI=1S/C9H9FO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3 |
InChI Key: | UMPRJGKLMUDRHL-UHFFFAOYSA-N |
Boiling Point: | 210 °C |
Purity: | 98 % |
Density: | 1.146 g/cm3 |
Appearance: | Colorless to pale yellow low melting solid |
MDL: | MFCD00000351 |
LogP: | 2.00240 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): 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-112326811-A | Method for predicting content of single crude oil in mixed crude oil | 20200928 |
CN-111764881-A | Oil-soluble trace element tracer for multistage fracturing and application thereof | 20200804 |
CN-111362967-A | Benzoxadiazatetetradecene derivatives and use thereof | 20200428 |
CN-111362967-B | Benzoxadiazatetetradecene derivatives and use thereof | 20200428 |
EP-3875452-A1 | Monoacylglycerol lipase inhibitors | 20200304 |
PMID | Publication Date | Title | Journal |
20032865 | 20091127 | Synthesis, structural studies and antitumoral evaluation of C-6 alkyl and alkenyl side chain pyrimidine derivatives | Molecules (Basel, Switzerland) |
21581076 | 20081031 | tert-Butyl N-benzyl-N-[4-(4-fluoro-benzoyl-meth-yl)-2-pyrid-yl]carbamate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.05865769 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.05865769 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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