Tris(Pentafluorophenyl)borane Hydrate

CAT: 0572-TRC-T800805-2.5GSize: 2.5 gDry Ice: NoHazardous: Yes

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CAT#:0572-TRC-T800805-2.5GSize:2.5 g

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CAS Number

1246935-88-5

Synonyms

Tris(2,3,4,5,6-pentafluorophenyl)borane; BF 15; Perfluorotriphenylboron Hydrate; Perfluorotrisphenylborane; Tri(pentafluorophenyl)boron Hydrate; Tri(perfluorophenyl)borane Hydrate; Tris(pentafluorophenyl)borane; Tris(pentafluorophenyl)boron Hydrate; Tris(perfluorophenyl)borane Hydrate; Tris(perfluorophenyl)boron Hydrate

Hazard Statement

Toxic if swallowed; UN number: UN2811; Packing Group: III

Purity

>95% (HPLC)

Smiles

FC1=C(F)C(F)=C(F)C(F)=C1B(C2=C(F)C(F)=C(F)C(F)=C2F)C3=C(F)C(F)=C(F)C(F)=C3F.O

Molecular Formula

C18BF15 •H2O

Molecular Weight

511.98

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

Tris(pentafluorophenyl)borane hydrate

CAS Number	1246935-88-5
PubChem CID	15875499
IUPAC Name	tris(2,3,4,5,6-pentafluorophenyl)borane;hydrate
Molecular Formula	C18H2BF15O
Molecular Weight	530.0
Topological Polar Surface Area	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	3
Heavy Atom Count	35
Formal Charge	0
Complexity	566

SMILES

B(C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)C3=C(C(=C(C(=C3F)F)F)F)F.O

InChI

InChI=1S/C18BF15.H2O/c20-4-1(5(21)11(27)16(32)10(4)26)19(2-6(22)12(28)17(33)13(29)7(2)23)3-8(24)14(30)18(34)15(31)9(3)25;/h;1H2

InChIKey

GVNLHDQZDCFJSP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1246935-88-5

CID: 15875499

Formula: C18H2BF15O

MW: 530.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	530.0
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	3
Exact Mass	529.9959173
Monoisotopic Mass	529.9959173
Topological Polar Surface Area	1 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	566
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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TRC-P273560-100MG	Pentafluorophenyl Chlorothionoformate
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TRC-B675275-1G	Borane Ammonia Complex
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Alternative Products

Catalog	Name
468310-01	Tris (Pentafluorophenyl) borane Hydrate
468290-01	Tris (2,2'-bipyridyl) dichlororuthenium (II) Hydrate
291721-01	Tris (2,4-pentanedionato) lanthanum (III) Hydrate
abx180914-01	tris-(3-Sulfornatophenyl)-phosphine 4-hydrate sodium salt
sc-236861	Scandium (III) tris (2,2,6,6-tetramethyl-3,5-heptanedionate) hydrate
PC0791-01	Tris (pentafluorophenyl) borane
sc-237386	Tris (dimethylamido) borane
OR1001-01	Tris (dimethylamino) borane
TYD-00104-01	Tris (perfluorophenyl) borane
JH918240	Tris (ethylmethylamino) borane

Tris(Pentafluorophenyl)borane Hydrate

Chemical Information

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