Flurbiprofen Methyl Ester

HCID 4127

Notes Reactions

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Basic information

CAS: 66202-86-6
Standard SMILES: COC(=O)C(C)c1ccc(-c2ccccc2)c(F)c1
InChIKey: CPJBKHZROFMSQM-UHFFFAOYSA-N
Molecular formula: C16H15FO2
Average molar mass: 258.29 g/mol
Monoisotopic mass: 258.10560794

Names & identifiers

Preferred name: Flurbiprofen Methyl Ester
IUPAC: methyl 2-(3-fluoro-4-phenylphenyl)propanoate
English name: Methyl Flurbiprofen
Molecular formula: C16H15FO2
Molecular weight: 258.29

Names & synonyms

Flurbiprofen methyl estermethyl 2-(3-fluoro-4-phenylphenyl)propanoateDTXSID50274416RefChem:599465DTXCID80225895methyl (2S)-2-(3-fluoro-4-phenylphenyl)propanoate889-721-766202-86-6methyl flurbiprofen[1,1'-Biphenyl]-4-acetic acid, 2-fluoro-a-methyl-, methyl esterFlurbiprofen Impurity 24Febuxostat 2-Butyl Isomer

Show more names

Flurbiprofen Impurity HFlurbiprofen Impurity 45Flurbiprofen EP Impurity HMETHYL 2-(2-FLUORO-BIPHENYL-4YL)PROPIONATE2-Fluoro-a-methyl-[1,1'-biphenyl]-4-acetic Acid Methyl Ester[1,1'-Biphenyl]-4-acetic acid, 2-fluoro-α-methyl-, methyl ester

Methyl 2-(2-fluoro-[1,1'-biphenyl]-4-yl)propanoateMethylFlurbiprofen-d3METHYL 2-(2-FLUORO-BIPHENYL-4-YL)-PROPIONATECHEMBL162300Methyl 2-(2-fluoro[1,1'-biphenyl]-4-yl)propanoateMFCD00871005methyl 2-{2-fluoro-[1,1'-biphenyl]-4-yl}propanoateMethyl 2-(2-fluoro-[1,1''-biphenyl]-4-yl)propanoate

Database identifiers

CAS: 66202-86-6
PubChem CID: 4127
DTXSID: DTXSID50274416
ChEMBL: CHEMBL162300
UNII: 55VME83H96
EC Number: 889-721-7
Nikkaji: J1.188.598E

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 299

Physicochemical properties

Melting point: 39 · 39-40°C
Boiling point: 337.3 · 337.3±30.0 °C(Predicted)
Density: 1.127 · 1.127±0.06 g/cm3(Predicted)
storage temp.: Refrigerator
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
color: White to Off-White
CAS DataBase Reference: 66202 · 66202-86-6
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P301+P317, P304+P340, P319, P330, P403+P233, P405, 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 CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H302
Precautionary statements: P264-P270-P301+P312-P330-P501

Chemistry & industry

Applications

UsesMethyl Flurbiprofen is the prodrug of flurbiprofen. An intermediate for the synthesis of the metabolite of Flurbiprofen, an anti-inflammatory used as an analgesic.