2,4'-Difluorobenzophenone
Basic information
- CAS
342-25-6- Standard SMILES
O=C(c1ccc(F)cc1)c1ccccc1F- InChIKey
LKFIWRPOVFNPKR-UHFFFAOYSA-N- Molecular formula
- C13H8F2O
- Average molar mass
- 218.2 g/mol
- Monoisotopic mass
- 218.0543212
Names & identifiers
- Preferred name
- 2,4'-Difluorobenzophenone
- IUPAC
- (2-fluorophenyl)-(4-fluorophenyl)methanone
- English name
- 2,4'-Difluorobenzophenone
- Molecular formula
- C13H8F2O
- Molecular weight
- 218.2
Names & synonyms
2,4'-Difluorobenzophenone342-25-6(2-Fluorophenyl)(4-fluorophenyl)methanone5YFK8V5BTEEINECS 206-441-7Methanone, (2-fluorophenyl)(4-fluorophenyl)-DTXSID40187788EC 206-441-7RefChem:442661DTXCID00110279206-441-7(2-fluorophenyl)-(4-fluorophenyl)methanone
Show more names
Procoryza extractPeucedani Radix。Peucedani ExtractPeucedanum extract2,4'-DifluorobenzophLABOTEST-BB LT00159745Flutriafol benzophenoneFlunarizine Impurity 222,4''-FLUOROBENZOPHENONE
24'-DifluorobenzophenoneMFCD000003192,4`-DifluorobenzophenoneSCHEMBL896769LKFIWRPOVFNPKR-UHFFFAOYSA-AKOS009158787CS-W014799PS-7907
Database identifiers
- CAS
342-25-6- PubChem CID
- 67651
- DTXSID
DTXSID40187788- UNII
- 5YFK8V5BTE
- EC Number
- 206-441-7
- Nikkaji
- J193.791J
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Melting point
- 22 · 22-24 °C(lit.)
- Boiling point
- 176 · 176-178 °C16 mm Hg(lit.)
- Density
- 1.244 g/mL · 1.244 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.5689(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform, Methanol
- form
- Solid
- color
- Off-White
- Specific Gravity
- 1.244 · 1.244
- FreezingPoint
- 22 to · 22.0 to 28.0 ℃
- BRN
- 3268520 · 3268520
- InChI
- InChI=1S/C13H8F2O/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8H
- InChIKey
- LKFIWRPOVFNPKR-UHFFFAOYSA-N
- SMILES
- C(C1=CC=CC=C1F)(C1=CC=C(F)C=C1)=O
- CAS DataBase Reference
- 342 · 342-25-6(CAS DataBase Reference)
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
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 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 2,4'-difluorobenzophenone (EC: 206-441-7)
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 29147000
- risk_code
- 36/37/38-36/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39-24/25-37-36
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280a-P305+P351+P338-P321-P332+P313-P337+P313
Chemistry & industry
Applications
Uses2,4’-Difluorobenzophenone is a reactant in the synthesis of EP1 receptor antagonists for the treatment of overactive bladder. Also used in the design and synthesis of thiosemicarbazone cathespin L inhibitors.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
9 records
Compound notes
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