2-Fluorobenzoyl chloride - CAS 393-52-2
Catalog: |
BB023944 |
Product Name: |
2-Fluorobenzoyl chloride |
CAS: |
393-52-2 |
Synonyms: |
2-fluorobenzoyl chloride |
IUPAC Name: | 2-fluorobenzoyl chloride |
Description: | 2-Fluorobenzoyl chloride (CAS# 393-52-2) is a compound useful in organic synthesis. |
Molecular Weight: | 158.56 |
Molecular Formula: | C7H4ClFO |
Canonical SMILES: | C1=CC=C(C(=C1)C(=O)Cl)F |
InChI: | InChI=1S/C7H4ClFO/c8-7(10)5-3-1-2-4-6(5)9/h1-4H |
InChI Key: | RAAGZOYMEQDCTD-UHFFFAOYSA-N |
Boiling Point: | 206 °C |
Melting Point: | 39 °F |
Flash Point: | 180 °F |
Density: | 1.304 g/cm3 |
Appearance: | Liquid |
Decomposition: | When heated to decomposition it emits toxic fumes of /hydrogen chloride and hydrogen flouride |
MDL: | MFCD00000656 |
LogP: | 2.20470 |
Vapor Pressure: | 0.46 [mmHg] |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
21582154 | 20090206 | 2-Fluoro-N-(2-fluoro-benzo-yl)-N-(2-pyrid-yl)benzamide | Acta crystallographica. Section E, Structure reports online |
Complexity: | 138 |
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: | 2.8 |
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