CAS 383-29-9 Benzene, 1,1'-sulfonylbis(4-fluoro- (HCID 67842)

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Basic information

CAS: 383-29-9
Standard SMILES: O=S(=O)(c1ccc(F)cc1)c1ccc(F)cc1
InChIKey: PLVUIVUKKJTSDM-UHFFFAOYSA-N
Molecular formula: C12H8F2O2S
Average molar mass: 254.25 g/mol
Monoisotopic mass: 254.02130699

Names & identifiers

Preferred name: Benzene, 1,1'-sulfonylbis(4-fluoro-
IUPAC: 1-fluoro-4-(4-fluorophenyl)sulfonylbenzene
English name: 4-Fluorophenyl sulfone
Molecular formula: C12H8F2O2S
Molecular weight: 254.25

Names & synonyms

383-29-94,4'-Difluorodiphenyl sulfoneBis(4-fluorophenyl)sulfoneBenzene, 1,1'-sulfonylbis[4-fluoro-Bis(p-fluorophenyl) sulfone4-FluorophenylsulfoneSulfone, bis(p-fluorophenyl)1,1'-sulfonylbis(4-fluorobenzene)Bis(p-fluorophenyl)sulphoneNSC 87584Benzene, 1,1'-sulfonylbis(4-fluoro-NSC 683542

Show more names

BIS(4-FLUOROPHENYL) SULFONEfone4,4'-Sulfonylbis(fluorobenzene)NSC-87584JACS-383-29-94-Fluorophenyl sulfoP-FLUOROPHENYL SULFONE4-FLUOROPHENYL SULFONE4-FLUOROPHENYL SULPHONE

EINECS 206-847-4DTXSID20599341,1'-Sulfonylbis[4-fluorobenzene]4FluorophenylsulfoneBis(4fluorophenyl)sulfoneRefChem:562224Bis(pfluorophenyl)sulphoneBis(pfluorophenyl) sulfone

Database identifiers

CAS: 383-29-9
PubChem CID: 67842
DTXSID

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 306

Experimental & physicochemical properties

Physical DescriptionWhite, odorless, crystalline powder; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: 98 · 98-100 °C(lit.)
Boiling point: 367.9 · 367.9±27.0 °C(Predicted)
Density: 1.3538 · 1.3538 (estimate)
storage temp.: 30 °C · Store below +30°C.
solubility: soluble in Methanol
form: Crystals or Powder
color: White to brown
BRN: 1970911 · 1970911
InChI: InChI=1S/C12H8F2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H
InChIKey: PLVUIVUKKJTSDM-UHFFFAOYSA-N
SMILES: S(C1=CC=C(F)C=C1)(C1=CC=C(F)C=C1)(=O)=O
CAS DataBase Reference: 383 · 383-29-9(CAS DataBase Reference)

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (75%): 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, P317, 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 4 reports by companies.；There are 3 notifications provided by 3 of 4 reports by companies with hazard statement code(s).；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.