Dioxane Bromonium Bromide

CAT: 0926-QAA48139-02Size: 50 gDry Ice: NoHazardous: No

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CAT#:0926-QAA48139-02Size:50 g

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CAS Number

15481-39-7

MDL Number

MFCD00034818

Smiles

C1COCCO1.BrBr

Molecular Formula

C4H8Br2O2

Molecular Weight

247.91 g/mol

Controlled

Yes

Chemical Information

1,4-Dioxane, compd. with bromine (1:1)

CAS Number	15481-39-7
PubChem CID	255279
IUPAC Name	1,4-dioxane;molecular bromine
Molecular Formula	C4H8Br2O2
Molecular Weight	247.91
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	26

SMILES

C1COCCO1.BrBr

InChI

InChI=1S/C4H8O2.Br2/c1-2-6-4-3-5-1;1-2/h1-4H2;

InChIKey

DTLTUUJDCNTTSN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15481-39-7

CID: 255279

Formula: C4H8Br2O2

MW: 247.91

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	247.91
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	247.88706
Monoisotopic Mass	245.88910
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	26.5
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

Catalog	Name
FD40714-01	1,4-Dioxane-2,5-dione
IR178405-01	Rocuronium Bromide EP Impurity F Bromide
FI44992-01	Ipratropium bromide
XC184310-01	Cholesteryl bromide
FD61447-01	Decamethonium bromide
FD33733-01	Dodecylpyridinium bromide
FD33327-01	Domiphen bromide
FC152009-01	Cimetropium bromide
FC13320-01	Cetyltrimethylammonium bromide
FC03116-01	Cyclobutyl bromide

Catalog	Name
163884	Dioxane Bromonium Bromide
RM-T201629-01	Tiotropium Bromide Impurity 29 (Dioxane Tetraketone)
PC99597	Bis (2,4,6-trimethylpyridine) bromonium hexafluorophosphate
D48773-01	M-Dioxane
S-1715	14-Dioxane
RG-D091503-01	1,4-Dioxane
S-1716	14-Dioxane-d8
sc-202185D	IPTG, Dioxane-Free
OR1044060-01	1,3-Dioxane
D48820-01	Dioxane dibromide 95%