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1,1,1,2,2,3,3-Heptafluoro-5-iodononane

HCID 4586586
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Basic information

CAS
755-48-6
Standard SMILES
CCCCC(I)CC(F)(F)C(F)(F)C(F)(F)F
InChIKey
OREPMMRTKSCBPA-UHFFFAOYSA-N
Molecular formula
C9H12F7I
Average molar mass
380.08 g/mol
Monoisotopic mass
379.9872

Names & identifiers

Preferred name
1,1,1,2,2,3,3-Heptafluoro-5-iodononane
IUPAC
1,1,1,2,2,3,3-heptafluoro-5-iodononane
English name
1,1,1,2,2,3,3-Heptafluoro-5-iodononane
Molecular formula
C9H12F7I
Molecular weight
380.08

Names & synonyms

1,1,1,2,2,3,3-heptafluoro-5-iodononane755-48-6DTXSID90404578RefChem:212707DTXCID10355432OREPMMRTKSCBPA-UHFFFAOYSA-NMFCD001558335-Iodo-1,1,1,2,2,3,3-heptafluorononane1,1,1,2,2,3,3-heptafluoro-5-iodo-nonaneAKOS015852809DB-055965NS00111920
Show more names
1-(n-perfluoropropyl)-2-iodohexaneNonane, 1,1,1,2,2,3,3-heptafluoro-5-iodo-

Database identifiers

CAS
755-48-6
PubChem CID
4586586
DTXSID
DTXSID90404578
Nikkaji
J619.174F

Properties

Computed structural properties

XLogP
6.2
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
17
Formal charge
0
Complexity
236

Experimental & physicochemical properties

PFAS · 2 items

PFAS -> OECD Category

PFAS -> Other/unspecified

Physicochemical properties

Boiling point
85 °C · 85°C 23mm
Density
1.3826 g/cm3 · 1.3826 g/cm3 (20℃)
refractive index
1.404 · 1.4040 (20℃)
EPA Substance Registry System
1 · 1,1,1,2,2,3,3-heptafluoro-5-iodononane (755-48-6)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338
Hazard Codes
Xi
Risk Statements
36 · 36/37/38
Safety Statements
26 · 26-36
HazardClass
IRRITANT

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

hs_code
2903779090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26-36
hazard_class
IRRITANT
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Uses & manufacturing

Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category

Related reactions

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Compound notes

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HS Code
2903779090 · 2903779090