4-Chlorobenzoyl Fluoride
Basic information
- CAS
456-21-3- Standard SMILES
O=C(F)c1ccc(Cl)cc1- InChIKey
XUPDMYDJDICHJJ-UHFFFAOYSA-N- Molecular formula
- C7H4ClFO
- Average molar mass
- 158.56 g/mol
- Monoisotopic mass
- 157.9934706
Names & identifiers
- Preferred name
- 4-Chlorobenzoyl Fluoride
- IUPAC
- 4-chlorobenzoyl fluoride
- English name
- Benzoyl fluoride, 4-chloro-
- Molecular formula
- C7H4ClFO
- Molecular weight
- 158.56
Names & synonyms
4-chlorobenzoyl Fluoride456-21-3RefChem:521957991-928-3Benzoyl fluoride, 4-chloro-MFCD220533134-Chloro-benzoyl fluorideSCHEMBL9834776DTXSID90452918HS-3427SY334205C4032
Show more names
4-chlorobenzeneformylfluoro
G90026F567419
Database identifiers
- CAS
456-21-3- PubChem CID
- 11040973
- DTXSID
DTXSID90452918- EC Number
- 991-928-3
- Nikkaji
- J880.589J
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 130
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 206.1 · 206.1±23.0 °C(Predicted)
- Density
- 1.301 · 1.301±0.06 g/cm3(Predicted)
- InChI
- InChI=1S/C7H4ClFO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H
- InChIKey
- XUPDMYDJDICHJJ-UHFFFAOYSA-N
- SMILES
- C(F)(=O)C1=CC=C(Cl)C=C1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H290 (100%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesMet. Corr. 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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