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4,4,5,5,6,7,7,7-Octafluoro-2-hydroxy-6-(trifluoromethyl)heptyl 2-propenoate

4,4,5,5,6,7,7,7-Octafluoro-2-hydroxy-6-(trifluoromethyl)heptyl 2-propenoate structure

CAS No:
16083-76-4
Formula:
C11H9F11O3
Chemical Name:
4,4,5,5,6,7,7,7-Octafluoro-2-hydroxy-6-(trifluoromethyl)heptyl 2-propenoate
Synonyms:
2-Propenoic acid,4,4,5,5,6,7,7,7-octafluoro-2-hydroxy-6-(trifluoromethyl)heptyl ester;Acrylic acid,4,4,5,5,6,7,7,7-octafluoro-2-hydroxy-6-(trifluoromethyl)heptyl ester;1,2-Heptanediol,4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)-,1-acrylate;4,4,5,5,6,7,7,7-Octafluoro-2-hydroxy-6-(trifluoromethyl)heptyl 2-propenoate;3-(Perfluoro-3-methylbutyl)-2-hydroxypropyl acrylate

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4,4,5,5,6,7,7,7-Octafluoro-2-hydroxy-6-(trifluoromethyl)heptyl 2-propenoate Basic Attributes

Molecular Weight：

398.17000

Exact Mass：

398.17

DSSTox ID：

DTXSID60379880

HScode：

2916129000

Characteristics

PSA：

46.53000

XLogP3：

3.57010

Density：

1.492g/cm3

Boiling Point：

80-81 °C @ Press: 1.5 Torr

Flash Point：

107.1ºC

Refractive Index：

n20/D 1.368(lit.)

Vapor Pressure：

0.00282mmHg at 25°C

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26; S36

Marks：

GHS Classification：

|Warning|H315 (97.44%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4,4,5,5,6,7,7,7-Octafluoro-2-hydroxy-6-(trifluoromethyl)heptyl 2-propenoate Use and Manufacturing

Use Classification：

PFAS (per- and polyfluoroalkyl substances) -> OECD Category

Computed Properties

Molecular Weight:398.17
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:8
Exact Mass:398.03760393
Monoisotopic Mass:398.03760393
Topological Polar Surface Area:46.5
Heavy Atom Count:25
Complexity:481
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4,4,5,5,6,7,7,7-Octafluoro-2-hydroxy-6-(trifluoromethyl)heptyl 2-propenoate

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

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