Perfluorooctanoyl chloride

HCID 78978
NotesReactions
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Basic information

CAS
335-64-8
Standard SMILES
O=C(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
AQQBRCXWZZAFOK-UHFFFAOYSA-N
Molecular formula
C8ClF15O
Average molar mass
432.51 g/mol
Monoisotopic mass
431.9398156

Names & identifiers

Preferred name
Perfluorooctanoyl chloride
IUPAC
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl chloride
English name
Pentadecafluorooctanoyl chloride
Molecular formula
C8ClF15O
Molecular weight
432.51

Names & synonyms

Perfluorooctanoyl chloride335-64-8Pentadecafluorooctyl chloride9BR9NAK9W6RefChem:859712206-394-2Pentadecafluorooctanoyl chloride2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctanoyl chloridePerfluorooctanoylchlorideC8ClF15OMFCD00013654DTXSID40187142
Show more names
PERFLUOROOCTANYL CHLORIDEXin chloride perfluorinatedPerfluorooctanoylchloride97%Perfluorooctanoyl chloride 97%
Octanoyl chloride, pentadecafluoro-EINECS 206-394-2perflurooctanoyl chloridePerfluorocaprylic chlorideUNII-9BR9NAK9W6n-Perfluorooctanoyl chlorideSCHEMBL159453Perfluorooctanoic acid chloride

Database identifiers

CAS
335-64-8
PubChem CID
78978
DTXSID
DTXSID40187142
UNII
9BR9NAK9W6
EC Number
206-394-2
Nikkaji
J193.772C

Properties

Computed structural properties

XLogP
5.9
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
16
Rotatable bonds
6
Heavy atoms
25

Experimental & physicochemical properties

PFAS · 3 items

PFAS -> Other/unspecified

PFAS -> Other/unspecified

PFAS -> OECD Category

Physicochemical properties

Melting point
74 · 74-75 °C(Solv: benzene (71-43-2))
Boiling point
129 · 129-130 °C/744 mmHg (lit.)
Density
1.744 g/mL · 1.744 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.3045(lit.)
Flash point
230 °F · >230 °F
storage temp.
30 °C · Store below +30°C.

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
3
ridadr
UN 3265 8/PG 2
hs_code
29159080
risk_code
34
Signal word
Danger

Chemistry & industry

Uses & manufacturing

Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Applications · 2 items

UsesPerfluorooctanoyl chloride is derivatizated and used in the determination of Amphetamine and Methamphetamine in Blood. It can be used in agrochemical, pharmaceutical and dyestuff field .

UsesPentadecafluorooctanoyl chloride can be used:In the derivatization of poly(2-hydroxyethyl methacrylate) (PHEMA) via esterification for use as composite membranes.In the fabrication of superhydrophobic cellulose surfaces.As a reagent for the esterification of hydroxyl-functionalized gold nanocrystals.As a reagent in the synthesis of fluorous derivatives of diaminocyclohexane which are used as ligands.

Upstream & downstream products

Suppliers64 total

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
常州新氟化学有限公司13275212658 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
焦作沃恩生物科技有限责任公司0391-3702345 18739121806

Related reactions

26 records
New reaction record

Compound notes

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