Decafluorobenzophenone

HCID 70068

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Basic information

CAS: 853-39-4
Standard SMILES: O=C(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIKey: WWQLXRAKBJVNCC-UHFFFAOYSA-N
Molecular formula: C13F10O
Average molar mass: 362.12 g/mol
Monoisotopic mass: 361.97894682

Names & identifiers

Preferred name: Decafluorobenzophenone
IUPAC: bis(2,3,4,5,6-pentafluorophenyl)methanone
English name: Decafluorobenzophenone
Molecular formula: C13F10O
Molecular weight: 362.12

Names & synonyms

Decafluorobenzophenone853-39-4PerfluorobenzophenoneBenzophenone, decafluoro-Methanone, bis(pentafluorophenyl)-EINECS 212-717-8DTXSID60234501NSC 96914RefChem:131150DTXCID20156992212-717-8WWQLXRAKBJVNCC-UHFFFAOYSA-N

Show more names

Perfluorobenzophenone 98%Decafluorobenzophenone98%Decafluorobenzophenone >Decafluorobenzophenone 98%Bis(pentafluorophenyl) ketone

Bis(perfluorophenyl)methanoneBis(2,3,4,5,6-pentafluorophenyl)methanoneMFCD00000295di2,3,4,5,6-pentafluorophenyl ketonebis(pentafluorophenyl)methanoneC13F10OdecafluorbenzophenonNSC96914

Database identifiers

CAS: 853-39-4
PubChem CID: 70068
DTXSID: DTXSID60234501
ChEMBL: CHEMBL2001102
EC Number: 212-717-8
Nikkaji: J45.973I

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 11
Rotatable bonds: 2
Heavy atoms: 24
Formal charge: 0
Complexity: 406

Experimental & physicochemical properties

PFASPFAS -> Other/unspecified

SpringerMaterials PropertiesFluorescence

Physicochemical properties

Melting point: 90 · 90-95 °C(lit.)
Boiling point: 206 · 206
Density: 1.6684 · 1.6684 (estimate)
storage temp.: 0 · Store at 0-8 °C
form: powder to crystaline
color: White to Light yellow
Water Solubility: Soluble in methanol. Insoluble in water.
BRN: 2066476 · 2066476
Stability: Stable. Incompatible with strong oxidising agents.
InChI: 1S/C13F10O/c14-3-1(4(15)8(19)11(22)7(3)18)13(24)2-5(16)9(20)12(23)10(21)6(2)17
InChIKey: WWQLXRAKBJVNCC-UHFFFAOYSA-N
SMILES: Fc1c(F)c(F)c(c(F)c1F)C(=O)c2c(F)c(F)c(F)c(F)c2F
CAS DataBase Reference: 853 · 853-39-4(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501c
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 37 · 37/39-26-24/25
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29147000 · 29147000
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 60% (3 of 5) of all reports.

Warning

H315 (40%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (40%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 29147000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 37/39-26-24/25
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501c

Chemistry & industry

Applications · 1 item

UsesPerfluorobenzophenone was used in the synthesis of fluorinated acridones and acridines. Fluorinated polyetherketones prepared from decafluorobenzophenone. Laser pulse excitation of decafluorobenzophenone (DFB) in acetonitrile yields the triplet 3DFB.