2,2,3,4,4,4-Hexafluorobutyl acrylate - CAS 54052-90-3

Catalog:	BB028476
Product Name:	2,2,3,4,4,4-Hexafluorobutyl acrylate
CAS:	54052-90-3
Synonyms:	2,2,3,4,4,4-hexafluorobutyl prop-2-enoate

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	2,2,3,4,4,4-hexafluorobutyl prop-2-enoate
Description:	Applications: 2,2,3,4,4,4-Hexafluorobutyl acrylate is a useful research chemical.
Molecular Weight:	236.11
Molecular Formula:	C7H6F6O2
Canonical SMILES:	C=CC(=O)OCC(C(C(F)(F)F)F)(F)F
InChI:	InChI=1S/C7H6F6O2/c1-2-4(14)15-3-6(9,10)5(8)7(11,12)13/h2,5H,1,3H2
InChI Key:	LMVLEDTVXAGBJV-UHFFFAOYSA-N
Boiling Point:	40-43 ℃ (8 mmHg)
Flash Point:	60 ℃
Purity:	95 %
Density:	1.389 g/cm³
Appearance:	Colorless liquid
Storage:	0-10 ℃
MDL:	MFCD00044091
LogP:	2.25130
Refractive Index:	1.35

Publication Number	Title	Priority Date
WO-2021201872-A1	Over-print varnish formulation	20200402
WO-2021201873-A1	Method of printing	20200402
US-2021283803-A1	A method for producing a composition of construction material for 3d printing	20200313
WO-2021183396-A1	A method for producing a composition of construction material for 3d printing	20200313
US-2021247658-A1	Electrophoretic core-shell particles having an organic pigment core and a shell with a thin metal oxide layer and a silane layer	20200206

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Related Functional Groups

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GHS Hazard Statement:	H226 (97.62%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	246
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	236.02719840
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	236.02719840
Rotatable Bond Count:	5
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9