Boron Trifluoride - Acetic Acid Complex

CAT: 0127-PC109275-01Size: 100 mLDry Ice: NoHazardous: No

1 / 1

CAT#:0127-PC109275-01Size:100 mL

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

373-61-5

Synonyms

Acetic acid; trifluoroborane

Purity

35% BF3, Safeseal

Smiles

B(F)(F)F.CC(=O)O.CC(=O)O

Chemical Information

Acetic acid boron trifluoride (2:1)

CAS Number	373-61-5
PubChem CID	171039532
IUPAC Name	diacetyloxy(difluoro)boranuide;hydron;fluoride
Molecular Formula	C4H8BF3O4
Molecular Weight	187.91
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	12
Formal Charge	0
Complexity	163

SMILES

[H+].[H+].[B-](OC(=O)C)(OC(=O)C)(F)F.[F-]

InChI

InChI=1S/C4H6BF2O4.FH/c1-3(8)10-5(6,7)11-4(2)9;/h1-2H3;1H/q-1;/p+1

InChIKey

SQSDCNHOYPJGDQ-UHFFFAOYSA-O

Chemical Structure

2D Structure

CAS: 373-61-5

CID: 171039532

Formula: C4H8BF3O4

MW: 187.91

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	187.91
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	188.0467734
Monoisotopic Mass	188.0467734
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	163
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	4
Compound Is Canonicalized	Yes

Catalog	Name
PC1008748-01	Boron Trifluoride - Methanol Complex
PC109127-01	Boron Trifluoride - Butyl Ether Complex
PC32794-01	Boron trifluoride methyl sulfide complex
IN3003-5	Rhodium Trifluoride
PC2563-01	(Diethylamino) sulphur trifluoride
PC4869Y	Indium trifluoride trihydrate
OR1024606-01	Boron Iodide
OR1028310-01	Boron Silicide
OR1030200-01	Boron Nitride
PC4870-01	Indium trifluoride, anhydrous

Catalog	Name
TRC-B675630-50G	Boron trifluoride acetic acid complex
A03445	Acetic acid-boron trifluoride complex
70720077	Boron trifluoride-acetic acid complex
TRC-B701720-1ML	Boron Trifluoride - Methanol Complex
sc-252509A	Boron trifluoride ethylamine complex
sc-252510	Boron trifluoride tetrahydrofuran complex
05306-02	Boron Trifluoride Ether Complex
sc-234203	Boron trifluoride propanol complex
1021020 25	Boron Trifluoride Etherate (Boron Trifluoride Ethyl Ether complex) Bf3
B17558-01	Boron trifluoride dimethyl ether complex