Alkyl iodides, C4-20, gamma-omega-perfluoro

HCID 109697

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Basic information

CAS: 1513-88-8
Standard SMILES: FC(F)(F)C(F)(F)C(F)(F)CCI
InChIKey: TZNRRNKRZXHADL-UHFFFAOYSA-N
Molecular formula: C5H4F7I
Average molar mass: 323.98 g/mol
Monoisotopic mass: 323.92459567

Names & identifiers

Preferred name: Alkyl iodides, C4-20, gamma-omega-perfluoro
IUPAC: 1,1,1,2,2,3,3-heptafluoro-5-iodopentane
English name: 1,1,1,2,2,3,3-HEPTAFLUORO-5-IODOPENTANE
Molecular formula: C5H4F7I
Molecular weight: 323.98

Names & synonyms

1,1,1,2,2,3,3-Heptafluoro-5-iodopentaneEINECS 269-141-5RefChem:554250269-141-5627-218-41513-88-8Pentane, 1,1,1,2,2,3,3-heptafluoro-5-iodo-3:2 Fluorotelomer iodide5-iodo-1,1,1,2,2,3,3-heptafluoropentaneMFCD001558341-iodo-3,3,4,4,5,5,5-heptafluoropentaneheptafluoro-5-iodopentane

Show more names

pentane,1,1,1,2,2,3,3-heptafluoro-5-iodo-1,1,1,2,2,3,3-Heptafluoro-5-iodopentane94%1,1,1,2,2,3,3-Heptafluoro-5-iodopentane97%1,1,1,2,2,3,3-Heptafluoro-5-iodopentane 97%

1,1,1,2,2,3,3-heptafluoro-5-iodo-pentaneSCHEMBL2430245C5 Gamma-Omega Perfluoro IodineDTXSID608801481H,1H,2H,2H-Perfluoropentyl iodideAKOS015852827FS-44821h,1h,2h,2h-heptafluoro-1-iodopentane

Database identifiers

CAS: 1513-88-8、68188-12-5
PubChem CID: 109697
DTXSID: DTXSID60880148
EC Number: 627-218-4

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 172

Experimental & physicochemical properties

PFAS · 3 items

PFAS -> Other/unspecified

PFAS -> OECD Category

PFAS -> Other/unspecified

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Boiling point: 80 °C · 80 °C
Density: 1.926 · 1.926±0.06 g/cm3(Predicted)
form: liquid
color: Clear, colourless
CAS DataBase Reference: 1513 · 1513-88-8(CAS DataBase Reference)
EPA Substance Registry System: 3 · 3:2 Fluorotelomer iodide (1513-88-8)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26
WGK Germany: 3 · 3
F: 8 · 8-10
HazardClass: IRRITANT
HS Code: 2903798000 · 2903798000

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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.