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1,1,1,2,3,3,4,4,5,5,6,6-Dodecafluoro-6-iodo-2-(trifluoromethyl)hexane

HCID 77036
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
3486-08-6
Standard SMILES
FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I
InChIKey
OUFXTVSYOAPUKM-UHFFFAOYSA-N
Molecular formula
C7F15I
Average molar mass
495.95 g/mol
Monoisotopic mass
495.88052

Names & identifiers

Preferred name
1,1,1,2,3,3,4,4,5,5,6,6-Dodecafluoro-6-iodo-2-(trifluoromethyl)hexane
IUPAC
1,1,1,2,3,3,4,4,5,5,6,6-dodecafluoro-6-iodo-2-(trifluoromethyl)hexane
English name
PERFLUOROISOHEPTYL IODIDE
Molecular formula
C7F15I
Molecular weight
495.96

Names & synonyms

3486-08-61,1,1,2,3,3,4,4,5,5,6,6-Dodecafluoro-6-iodo-2-(trifluoromethyl)hexaneEINECS 222-475-5Hexane, 1,1,1,2,3,3,4,4,5,5,6,6-dodecafluoro-6-iodo-2-(trifluoromethyl)-RefChem:409357222-475-5Perfluoroisoheptyl iodide1-Iodoperfluoro-5-methylhexane1-Iodoperfluoro(5-methylhexane)D6B3B9ZQ6CSCHEMBL3921364DTXSID2063050
Show more names
DAIKIN I-3600Perfluoroisoheptyliodide97%PERFLUORO-5-METHYLHEXYL IODIDE
MFCD00042357AKOS016015414DB-231639NS00018722F007076

Database identifiers

CAS
3486-08-6
PubChem CID
77036
DTXSID
DTXSID2063050
UNII
D6B3B9ZQ6C
EC Number
222-475-5
Nikkaji
J216.148F

Properties

Computed structural properties

XLogP
6.1
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
15
Rotatable bonds
4
Heavy atoms
23
Formal charge
0
Complexity
428

Experimental & physicochemical properties

PFAS · 3 items

PFAS -> Other/unspecified

PFAS -> Other/unspecified

PFAS -> OECD Category

Physicochemical properties

Boiling point
70 · 70-110°C 0,5mm
Density
2 · 2,039 g/cm3
refractive index
1.33 · 1.33
CAS DataBase Reference
3486 · 3486-08-6(CAS DataBase Reference)
EPA Substance Registry System
1 · Hexane, 1,1,1,2,3,3,4,4,5,5,6,6-dodecafluoro-6-iodo-2-(trifluoromethyl)- (3486-08-6)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Hazard Codes
Xi
Risk Statements
36 · 36/37/38

Safety & regulation

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

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Regulatory InformationS - indicates a substance that is identified in a final Significant New Use Rule.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

tsca
TSCA listed
ridadr
3271
hs_code
2903493090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_note
Irritant
safety_code
26-36/37/39
Hazard statements
H315-H319-H335
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Uses & manufacturing

Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing InformationHexane, 1,1,1,2,3,3,4,4,5,5,6,6-dodecafluoro-6-iodo-2-(trifluoromethyl)-: INACTIVE

Upstream & downstream products

Downstream products

3-(PERFLUORO-5-METHYLHEXYL)-2-IODOPROPANOL

Suppliers8 total

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
杭州凡达化工有限公司008657128800458 · [email protected]
广东翁江化学试剂有限公司0751-2815688 13927872512 · [email protected]
中科双航化学(大连)有限公司+86-411-66858498 13941194417 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Related reactions

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New reaction record

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Safety Statements
26 · 26-36/37/39
RIDADR
3271 · 3271
Hazard Note
Irritant
TSCA
TSCA listed
HS Code
2903493090 · 2903493090