4-Fluorobenzoyl chloride - CAS 403-43-0
Catalog: |
BB024462 |
Product Name: |
4-Fluorobenzoyl chloride |
CAS: |
403-43-0 |
Synonyms: |
4-fluorobenzoyl chloride |
IUPAC Name: | 4-fluorobenzoyl chloride |
Description: | 4-Fluorobenzoyl chloride (CAS# 403-43-0) is used in the synthesis of tryphostins which act as inhibitors of EGF receptor and Erb82/neu tyrosine kinases. Also used in the synthesis of 1,2,4-triazole-3-thiones as antidepressant agents. |
Molecular Weight: | 158.56 |
Molecular Formula: | C7H4ClFO |
Canonical SMILES: | C1=CC(=CC=C1C(=O)Cl)F |
InChI: | InChI=1S/C7H4ClFO/c8-7(10)5-1-3-6(9)4-2-5/h1-4H |
InChI Key: | CZKLEJHVLCMVQR-UHFFFAOYSA-N |
Boiling Point: | 82 °C (20 torr) |
Melting Point: | 9 °C |
Purity: | 95 % |
Density: | 1.342 g/cm3 |
Appearance: | Clear to light yellow liquid |
Storage: | Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00000684 |
LogP: | 2.20470 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113461502-A | Preparation method of 2-hydroxybenzophenone compound and halogenated derivative thereof | 20210715 |
CN-113461639-A | Piperazine-containing ferulic acid derivative, and preparation method and application thereof | 20210708 |
CN-113473700-A | Bending-resistant and pressure-resistant 5G flexible circuit board and production process thereof | 20210630 |
CN-113214524-A | Friction-resistant high-shear-resistant composite rubber sealing material | 20210611 |
CN-113416336-A | Fluorine-containing end group active hydroxyl friction-resistant high-shear-resistant composite rubber material | 20210611 |
PMID | Publication Date | Title | Journal |
21754837 | 20110601 | (2,7-Dimeth-oxy-naphthalen-1-yl)(4-fluoro-phen-yl)methanone | Acta crystallographica. Section E, Structure reports online |
21588390 | 20100724 | Trichodermin (12,13-ep-oxy-trichethec-9-en-4β-yl 4-fluoro-benzoate) | Acta crystallographica. Section E, Structure reports online |
21587825 | 20100605 | (3,4-Dimeth-oxy-phen-yl)(4-fluoro-phen-yl)methanone | Acta crystallographica. Section E, Structure reports online |
21581890 | 20090110 | N-(3-Bromo-1,4-dioxo-1,4-dihydro-2-naphth-yl)-4-fluoro-N-(4-fluoro-benzo-yl)benzamide | Acta crystallographica. Section E, Structure reports online |
21581868 | 20090108 | 4-Hydroxy-phenyl 4-fluoro-benzoate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.9934706 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.9934706 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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