2-Fluorobenzoyl chloride
An aromatic organohalide, C7H4ClFO, 158.559 g/mol. Boiling point 206 °C, melting point 4 °C, as published.
Identifiers
- Molecular formula
- C₇H₄ClFO
- Molecular weight
- 158.559 g/mol
- Exact mass
- 157.993471 g/mol
- IUPAC name
- 2-fluorobenzoyl chloride
- O=C(Cl)c1ccccc1F
- InChI=1S/C7H4ClFO/c8-7(10)5-3-1-2-4-6(5)9/h1-4H
- RAAGZOYMEQDCTD-UHFFFAOYSA-N
Measured properties
- Boiling Point
- 403 °F at 760 mmHg (NTP, 1992)
- 206 °C
- Melting Point
- 39 °F (NTP, 1992)
- 4 °C
- Density
- 1.304 at 68 °F (NTP, 1992) - Denser than water; will sink
- 1.328 g/cu cm at 25 °C
- Solubility
- Decomposes (NTP, 1992)
- Vapor Pressure
- 0.46 [mmHg]
- Flash Point
- 180 °F (NTP, 1992)
- 180 °F
- Refractive Index
- Index of refraction: 1.5365 at 20 °C/D
Calculated properties
- Molecular weight
- 158.56 g/mol
- Exact mass
- 157.9934706 Da
- XLogP3
- 2.8
- Polar surface area
- 17.1 Ų
- Complexity
- 138
- H-bond donors
- 0
- H-bond acceptors
- 2
- logP
- 2.2047
- Topological polar surface area
- 17.07 Ų
- H-bond donors
- 0
- H-bond acceptors
- 1
- Rotatable bonds
- 1
- Molar refractivity
- 36.5835 cm³/mol
- Fraction sp³ carbons
- 0
- QED drug-likeness
- 0.573
What it is made of
Structure
- Heavy atoms, hydrogen excluded
- 10
- Total atoms, hydrogen included
- 14
- Rings
- 1
- Aromatic rings
- 1
- Stereocentres
- 0
- Formal charge
- 0
Functional groups
Halide (C–X)
Aromatic ring
The molecule in three dimensions
The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.
Reactions it appears in
Other names for it
The systematic name on this record is 2-fluorobenzoyl chloride.
The sources also call it o-Fluorobenzoyl chloride, Benzoyl chloride, 2-fluoro-, Benzoyl chloride, o-fluoro-, CCRIS 5914, DTXSID3025330, HSDB 4261, EINECS 206-887-2, NSC 88304, UNII-Z4H017N76S, BRN 0636864, Z4H017N76S.
Structurally related
Seen alongside it in reaction records
Molecules that appear in the same recorded reactions as 2-Fluorobenzoyl chloride. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.
1'-[(6-chloro-1H-indol-3-yl)carbonyl]-5-fluoro-3H-spiro[2-benzofuran-1,4'-piperidin]-3-one
used as a reactant
C₂₁H₁₆ClFN₂O₃, 398.821 g/mol.
(Oxiran-2-yl)methyl 2-fluorobenzoate
formed as a product
C₁₀H₉FO₃, 196.177 g/mol.
1,2-Dichloroethane
used as a reactant
C₂H₄Cl₂, 98.96 g/mol.
(5-Benzylamino-2-propyl-benzoimidazol-1-yl)-acetic acid tert-butyl ester
used as a reactant
C₂₃H₂₉N₃O₂, 379.504 g/mol.
(3-Bromo-2,4-dimethoxyphenyl)-(2-fluorophenyl)methanone
formed as a product
C₁₅H₁₂BrFO₃, 339.16 g/mol.
1'-{[6-Chloro-1-(2-fluorobenzoyl)-1H-indol-3-yl]carbonyl}-5-fluoro-3H-spiro[2-benzofuran-1,4'-piperidin]-3-one
formed as a product
C₂₈H₁₉ClF₂N₂O₄, 520.919 g/mol.
Where these values came from
chemistry engine
What this page does not claim
Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.
Where to next
More molecules under 0–9
The rest of this shelf, a hundred names at a time.
Molar mass calculator
Work with C7H4ClFO in a calculation, with every element's contribution shown.
Molarity calculator
Grams of 2-Fluorobenzoyl chloride for a volume and a concentration, or the concentration a mass gives.
Open in ReactionLens
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