2,4'-Difluorobenzophenone - CAS 342-25-6
Catalog: |
BB022013 |
Product Name: |
2,4'-Difluorobenzophenone |
CAS: |
342-25-6 |
Synonyms: |
(2-fluorophenyl)-(4-fluorophenyl)methanone; (2-fluorophenyl)-(4-fluorophenyl)methanone |
IUPAC Name: | (2-fluorophenyl)-(4-fluorophenyl)methanone |
Description: | 2,4'-Difluorobenzophenone (CAS# 342-25-6) 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. |
Molecular Weight: | 218.20 |
Molecular Formula: | C13H8F2O |
Canonical SMILES: | C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)F)F |
InChI: | InChI=1S/C13H8F2O/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8H |
InChI Key: | LKFIWRPOVFNPKR-UHFFFAOYSA-N |
Boiling Point: | 176-178 °C (16 torr) |
Density: | 1.244 g/cm3 |
MDL: | MFCD00000319 |
LogP: | 3.19580 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (86.96%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | 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 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113321574-A | Preparation method of 4, 4' -difluorobenzophenone and intermediate thereof | 20210603 |
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JP-2021155904-A | Fiber sizing agents, fiber bundles, textile products, resin compositions and molded articles | 20200205 |
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Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.0543212 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.0543212 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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