2-Fluorobiphenyl-4-carboxylic acid - CAS 137045-30-8
Catalog: |
BB008501 |
Product Name: |
2-Fluorobiphenyl-4-carboxylic acid |
CAS: |
137045-30-8 |
Synonyms: |
3-fluoro-4-phenylbenzoic acid |
Application: |
2-Fluorobiphenyl-4-carboxylic Acid is an impurity of Flurbiprofen (F598700), an anti-inflammatory used as an analgesic. Flurbiprofen impurity E. |
IUPAC Name: | 3-fluoro-4-phenylbenzoic acid |
Description: | Flurbiprofen Impurity E is an impurity of Flurbiprofen. |
Molecular Weight: | 216.21 |
Molecular Formula: | C13H9FO2 |
Canonical SMILES: | C1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)O)F |
InChI: | InChI=1S/C13H9FO2/c14-12-8-10(13(15)16)6-7-11(12)9-4-2-1-3-5-9/h1-8H,(H,15,16) |
InChI Key: | PFKITESTTSWHMP-UHFFFAOYSA-N |
Boiling Point: | 366.3 °C at 760 mmHg |
Melting Point: | 223-227 °C |
Purity: | > 95 % |
Density: | 1.261 g/cm3 |
Solubility: | Sealed in dry, Room Temperature |
Appearance: | White to tan powder or crystals |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD05664334 |
LogP: | 3.19090 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111846514-A | Combination of flurbiprofen injection and container | 20190430 |
CN-111494308-A | Stable flurbiprofen injection | 20190130 |
WO-2019236974-A1 | Systems, devices, and methods for gas sensing | 20180608 |
CN-112585457-A | Systems, devices, and methods for gas sensing | 20180608 |
EP-3803365-A1 | Systems, devices, and methods for gas sensing | 20180608 |
Complexity: | 248 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.05865769 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.05865769 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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