Bromoiodoacetic acid

CAT: 0804-HY-133657-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-133657-01Size:1 mg

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Description

Bromoiodoacetic acid, one of iodinated haloacids, is a disinfection byproduct (DBP) at in finished drinking waters[1].

CAS Number

71815-43-5

UNSPSC

12352211

Target

Biochemical Assay Reagents

Type

Reference compound

Related Pathways

Others

Field of Research

Others

Assay Protocol

https://www.medchemexpress.com/bromoiodoacetic-acid.html

Solubility

10 mM in DMSO

Smiles

O=C(O)C(Br)I

Molecular Formula

C2H2BrIO2

Molecular Weight

264.84

References & Citations

[1]Stuart W Krasner, et al.Occurrence of a new generation of disinfection byproducts. Environ Sci Technol. 2006 Dec 1;40 (23) :7175-85.

Shipping Conditions

Room temperature

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

2-Bromo-2-iodoacetic acid

CAS Number	71815-43-5
PubChem CID	56935838
IUPAC Name	2-bromo-2-iodoacetic acid
Molecular Formula	C2H2BrIO2
Molecular Weight	264.84
XLogP	1.4
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	6
Formal Charge	0
Complexity	64

SMILES

C(C(=O)O)(Br)I

InChI

InChI=1S/C2H2BrIO2/c3-1(4)2(5)6/h1H,(H,5,6)

InChIKey

PMJXOVYMFHLFDD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 71815-43-5

CID: 56935838

Formula: C2H2BrIO2

MW: 264.84

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	264.84
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	263.82829
Monoisotopic Mass	263.82829
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	64.6
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
T40827	Bromoiodoacetic acid
OR1071368-01	Acid-apeg6-acid
M2859	Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
L2500-01	Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
041005	Cacodylic Acid (dimethylarsonic acid, dimethylarsinic acid)
MBS641082-01	Lipoic Acid (Thioctic Acid, Alpha Lipoic Acid)
275335-01	Ethylenediaminediacetic acid dipropionic acid
O8099-01	Oxalacetic Acid (Oxaloacetic acid)
MBS6036559-01	a-Lipoic Acid (Thioctic Acid)
MBS651473-01	Ambuic acid ((+)-Ambuic acid)

Bromoiodoacetic acid

Chemical Information

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