Pentafluoroiodobenzene

HCID 70008CAS 827-15-6
Substructure searchFind similar structures

Basic information

Standard SMILES
Fc1c(F)c(F)c(I)c(F)c1F
InChIKey
OPYHNLNYCRZOGY-UHFFFAOYSA-N
Molecular formula
C6F5I
Average molar mass
293.96 g/mol
Monoisotopic mass
293.8964891

Names & identifiers

Preferred name
Pentafluoroiodobenzene
IUPAC
1,2,3,4,5-pentafluoro-6-iodobenzene
English name
IODOPENTAFLUOROBENZENE
Molecular formula
C6F5I
Molecular weight
293.96

Names & synonyms

IodopentafluorobenzenePentafluoroiodobenzeneBenzene, pentafluoroiodo-Iodoperfluorobenzene2,3,4,5,6-Pentafluoroiodobenzene1,2,3,4,5-Pentafluoro-6-iodo-benzenePentafluorophenyl iodideEINECS 212-565-2PerfluoroiodobenzeneDTXSID10231969NSC 88306RefChem:171368
Show more names
PentafluoriodbenzolFive-fluoroiodobenzenePentafluoroiodiophenylIodoperfluorobenzene 99%
DTXCID90154460212-565-2OPYHNLNYCRZOGY-UHFFFAOYSA-N827-15-61,2,3,4,5-pentafluoro-6-iodobenzeneMFCD00001032C6F5Ibenzene, 1,2,3,4,5-pentafluoro-6-iodo-

Database identifiers

CAS
827-15-6
PubChem CID
70008
DTXSID
DTXSID10231969
UNII
6FL842U9F2
EC Number
212-565-2
Nikkaji
J108.273F

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
0
Heavy atoms
12

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Monoaromatics
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
-29 °C · -29°C
Boiling point
161 °C · 161 °C(lit.)
Density
2.204 g/mL · 2.204 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.496(lit.)
Flash point
None
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Fluorobenzene.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
hs_code
29039990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 3 items

UsesIodopentafluorobenzene was used to study the formation of radical ions of iodopentafluorobenzene in aqueous solution . It was used as solvent in a study to determine singlet oxgen lifetimes from phosphorescence decays in halogen substituted perfluorinated solvents by infrared emission spectrometery . It has potential applications in plasma processing industry and in preparation of catalysts .

UsesIodopentafluorobenzene was used to study the formation of radical ions of iodopentafluorobenzene in aqueous solution. It was used as solvent in a study to determine singlet oxgen lifetimes from phosphorescence decays in halogen substituted perfluorinated solvents by infrared emission spectrometery.It has potential applications in plasma processing industry and in preparation of catalysts.

General DescriptionIodopentafluorobenzene forms supramolecular complexes with aromatic electron donors by forming halogen bonds to form discrete heterodimeric aggregates.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
西安祥源植化生物技术有限公司13991954170 · [email protected]

Related reactions

8 records
New reaction record

Linked notes

Loading…