Fluoresone

HCID 71814

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 2924-67-6
Standard SMILES: CCS(=O)(=O)c1ccc(F)cc1
InChIKey: PRNNIHPVNFPWAH-UHFFFAOYSA-N
Molecular formula: C8H9FO2S
Average molar mass: 188.22 g/mol
Monoisotopic mass: 188.03072886

Names & identifiers

Preferred name: Fluoresone
IUPAC: 1-ethylsulfonyl-4-fluorobenzene
English name: fluoresone
Molecular formula: C8H9FO2S
Molecular weight: 188.22

Names & synonyms

Fluoresone2924-67-6Ethyl p-fluorophenyl sulfone343BH0S0XR1-Ethanesulfonyl-4-fluoro-benzeneDTXSID10183494RefChem:140903DTXCID20105985220-889-01-(ethanesulfonyl)-4-fluorobenzene1-(Ethylsulfonyl)-4-fluorobenzeneFluoresonum

Show more names

fluoresone USP/EP/BPp-Fluorophenylethyl sulfoneEthyl(4-fluorophenyl) sulfone

Fluoresona1-Ethanesulphonyl-4-fluorobenzeneFluoresone [INN:DCF]1-ethylsulfonyl-4-fluorobenzeneBenzene, 1-(ethylsulfonyl)-4-fluoro-1-ethanesulfonyl-4-fluorobenzeneBripadonCaducid

Database identifiers

CAS: 2924-67-6
PubChem CID: 71814
DTXSID: DTXSID10183494
ChEMBL: CHEMBL93309
ChEBI: CHEBI:134835
UNII: 343BH0S0XR
EC Number: 220-889-0
Nikkaji: J7.940E

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 222

Physicochemical properties

Melting point: 41 ° · 41°
Density: 1.2315 · 1.2315 (estimate)
form: low melting crystals
color: Pale yellow
FDA UNII: 343 BH0S0XR · 343BH0S0XR
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
HS Code: 2904990090 · 2904990090
Toxicity: 50 orally · LD50 orally in mice: 2.5 g/kg (G. Thuillier); also reported as 850 mg/kg (J. Thuillier); 542 mg/kg (Akimoto, Taen)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (50%)；Eye Irrit. 2A (50%)；STOT SE 3 (50%)

Safety data

hs_code: 2904990090
Toxicity: LD50 orally in mice: 2.5 g/kg (G. Thuillier); also reported as 850 mg/kg (J. Thuillier); 542 mg/kg (Akimoto, Taen)
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P271-P280