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Chlorodibromoacetic acid - 95%, high purity , CAS No.5278-95-5

COA

Grade & Purity:

≥95%

Cas Number: 5278-95-5
Molecular Weight: 252.29
PubChem CID: 115266

In stock

Item Number

C354118

Grouped product items
SKU	Size	Availability	Price	Qty
C354118-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$389.90
C354118-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,076.90

a haloacetic acid, prevalent as a byproduct in the toxic disinfection of swimming pool water.

View related series

carboxylic acid (2098)

Basic Description

Synonyms	CHLORODIBROMOACETICACID \| Acetic acid, dibromochloro- \| Chlorodibromoacetic acid, vial of 25 mg, analytical standard \| HSDB 7621 \| DTXSID3031151 \| A936990 \| NCGC00188892-01 \| AMD03B602V \| SCHEMBL751842 \| DBCAA \| UNII-AMD03B602V \| AKOS028108487 \| Chlorodib
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Chlorodibromoacetic acid is a haloacetic acid, a family of organic disinfection byproducts originating from chlorinated water. In drinking water, haloacetic acids like Chlorodibromoacetic acid can be common contaminants. Chromatography with Chlorodibromoacetic acid as an analytical standard may be performed for the determination of the presence of any Chlorodibromoacetic acid in drinking water. In addition, Chlorodibromoacetic acid may also see application in the environmental, food and beverage, forensics, petrochemical, and pharmaceutical industries.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Alpha-halocarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Alpha-halocarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Alpha-halocarboxylic acids
Alternative Parents	Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides Alkyl bromides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Alpha-halocarboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Alkyl bromide - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as alpha-halocarboxylic acids. These are carboxylic acids containing a halogen atom bonded to the alpha carbon atom.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2,2-dibromo-2-chloroacetic acid
INCHI	InChI=1S/C2HBr2ClO2/c3-2(4,5)1(6)7/h(H,6,7)
InChIKey	UCZDDMGNCJJAHK-UHFFFAOYSA-N
Smiles	C(=O)(C(Cl)(Br)Br)O
Isomeric SMILES	C(=O)(C(Cl)(Br)Br)O
Molecular Weight	252.29
Reaxy-Rn	1703123
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1703123&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	99-102° C (lit.)
Molecular Weight	252.290 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	251.801 Da
Monoisotopic Mass	249.803 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	91.700
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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