Fluorofibric acid

HCID 164690

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Basic information

CAS: 587-11-1
Standard SMILES: CC(C)(Oc1ccc(F)cc1)C(=O)O
InChIKey: PXVNKPIQJZZEMO-UHFFFAOYSA-N
Molecular formula: C10H11FO3
Average molar mass: 198.19 g/mol
Monoisotopic mass: 198.06922237

Names & identifiers

Preferred name: Fluorofibric acid
IUPAC: 2-(4-fluorophenoxy)-2-methylpropanoic acid
English name: fluorofibric acid
Molecular formula: C10H11FO3
Molecular weight: 198.19

Names & synonyms

587-11-1Fluorofibric acid4-Fluorophenoxy-2-methylpropanoic acidDTXSID00207395RefChem:140940DTXCID001298862-(4-fluorophenoxy)-2-methylpropanoic acidMFCD000931872-(4-Fluoro-phenoxy)-2-methyl-propionic acid2-(4-Fluorophenoxy)-2-methylpropionic acid2-(4-Fluorophenoxy)-2-methyl-propanoic acidPropanoic acid, 2-(4-fluorophenoxy)-2-methyl-

Show more names

2-(4-fluorophenoxy)-2-methylpropanoic acid(SALTDATA: FREE)

SCHEMBL3158911PXVNKPIQJZZEMO-UHFFFAOYSA-NALBB-000911BBL014135STK319515AKOS000104070SY143720VS-04198

Database identifiers

CAS: 587-11-1
PubChem CID: 164690
DTXSID: DTXSID00207395
EC Number: 840-858-0
Nikkaji: J755.637C

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 207

Physicochemical properties

Melting point: 83 °C · 83 °C(Solv: ligroine (8032-32-4))
Boiling point: 304.1 · 304.1±17.0 °C(Predicted)
Density: 1.224 · 1.224±0.06 g/cm3(Predicted)
storage temp.: Store at Room Tem.
pka: 3.23 · 3.23±0.10(Predicted)
Appearance: white solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HazardClass: IRRITANT
HS Code: 2918999090 · 2918999090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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.