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1,1,3,5,6-Pentachlorononafluorohexane

HCID 520490
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
307-26-6
Standard SMILES
FC(F)(Cl)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)Cl
InChIKey
DVAVTWDOWVBESE-UHFFFAOYSA-N
Molecular formula
CFCl2(CF2CFCl)2CF2Cl
Average molar mass
420.3 g/mol
Monoisotopic mass
417.829892

Names & identifiers

Preferred name
1,1,3,5,6-Pentachlorononafluorohexane
IUPAC
1,1,3,5,6-pentachloro-1,2,2,3,4,4,5,6,6-nonafluorohexane
English name
1,1,3,5,6-Pentachlorononafluorohexane
Molecular formula
C6Cl5F9
Molecular weight
420.31

Names & synonyms

1,1,3,5,6-Pentachlorononafluorohexane307-26-61,1,3,5,6-pentachloro-1,2,2,3,4,4,5,6,6-nonafluorohexaneMFCD00155908Hexane, 1,1,3,5,6-pentachloro-1,2,2,3,4,4,5,6,6-nonafluoro-C6Cl5F9Nonafluoro-1,1,3,5,6-pentachlorohexane1,1,3,5,6-Pentachloroperfluorohexane1,2,4,6,6-Pentachloro-1,1,2,3,3,4,5,5,6-nonafluorohexaneSCHEMBL4881932DTXSID10334368DVAVTWDOWVBESE-UHFFFAOYSA-N
Show more names
1,1,3,5,6-Pentachlorononafluorohexane98%1,1,3,5,6-PENTACHLORONONAFLUOROHEXANE 98%
AKOS015848670DB-047883CS-0450829NS00115417pentachloro-1,1,2,3,3,4,5,5,6-nonafluoro-n-hexane

Database identifiers

CAS
307-26-6
PubChem CID
520490
DTXSID
DTXSID10334368
Nikkaji
J697.132F

Properties

Computed structural properties

XLogP
6.4
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
5
Heavy atoms
20
Formal charge
0
Complexity
387

Experimental & physicochemical properties

PFAS · 3 items

PFAS -> Other Nonpolymers

PFAS -> non-polymer

PFAS -> Other/unspecified

SpringerMaterials PropertiesDielectric constant

Physicochemical properties

Melting point
203 °C · 203 °C
Boiling point
203 °C · 203°C
Density
1 · 1,827 g/cm3
refractive index
1.394 · 1.394
form
liquid
Specific Gravity
1.827 · 1.827
color
Clear
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
280 · P280-P312-P261
Hazard Codes

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
H315-H319-H335
Precautionary statements
P280-P312-P261

Chemistry & industry

Uses & manufacturing

Uses · 2 items

non-polymer PFAS -> Production of Plastic and rubber -> Mold release agent in general

• Mold release agent [Ref: CAS2019 (DE2641898)]

Suppliers5 total

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Xi
Risk Statements
36 · 36/37/38
Safety Statements
26 · 26-36
HazardClass
IRRITANT
HS Code
2903779090 · 2903779090