Ketoprofen EP Impurity F - CAS 42872-30-0
Catalog: |
BB025264 |
Product Name: |
Ketoprofen EP Impurity F |
CAS: |
42872-30-0 |
Synonyms: |
(2RS)-2-(3-benzoylphenyl)propanenitrile; Benzeneacetonitrile, 3-benzoyl-α-methyl-; 3-Benzoyl-α-methylbenzeneacetonitrile; 2-(3-Benzoylphenyl)propionitrile; 2-(m-Benzoylphenyl)propionitrile; Ketoprofen USP Related Compound F; Ketoprofen Impurity F |
Related CAS: | 162681-68-7 (Deleted CAS) 161527-65-7 (R-isomer) 1421692-22-9 (S-isomer)
|
IUPAC Name: | 2-(3-benzoylphenyl)propanenitrile |
Description: | Ketoprofen EP Impurity F is an impurity of Ketoprofen, which is a cyclooxygenase inhibitor used as a nonsteroidal anti-inflammatory agent (NSAIA) with analgesic and antipyretic properties. |
Molecular Weight: | 235.28 |
Molecular Formula: | C16H13NO |
Canonical SMILES: | CC(C#N)C1=CC=CC(=C1)C(=O)C2=CC=CC=C2 |
InChI: | InChI=1S/C16H13NO/c1-12(11-17)14-8-5-9-15(10-14)16(18)13-6-3-2-4-7-13/h2-10,12H,1H3 |
InChI Key: | RGYOCHMZSLUCNP-UHFFFAOYSA-N |
Boiling Point: | 400.8±28.0°C at 760 mmHg |
Melting Point: | 57-59°C |
Purity: | ≥95% |
Density: | 1.115±0.06 g/cm3 |
Solubility: | Soluble in Chloroform (Slightly), Methanol (Slightly) |
Appearance: | White Solid |
Storage: | Store at 2-8°C |
MDL: | MFCD00044435 |
LogP: | 3.54468 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110857269-A | Ketone ibuprofen intermediate and preparation method and application thereof | 20180824 |
DE-102018201548-A1 | Electrolytic composition for electrochemical cell for high temperature applications | 20180201 |
WO-2019149812-A1 | Electrolyte composition for electrochemical cell for high-temperature applications | 20180201 |
CN-109651155-A | A kind of Ketoprofen intermediate and its preparation method and application | 20171011 |
CN-105037127-A | Preparation method for ketoprofen | 20150707 |
Complexity: | 334 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.099714038 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 40.9 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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