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2,3-Dibromopropionic Acid - >97.0%, high purity , CAS No.600-05-5

COA

Grade & Purity:

≥97%

Cas Number: 600-05-5
Molecular Weight: 231.87
Beilstein Registry Number: 1721430
MDL number: MFCD00004212
PubChem CID: 11746
PubChem SID: 504752187

In stock

Item Number

D155446

Grouped product items
SKU	Size	Availability	Price
D155446-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
D155446-25g	25g	1	$21.90
D155446-100g	100g	2	$78.90
D155446-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$206.90

View related series

carboxylic acid (2098) Non heterocyclic block (8163)

Basic Description

Synonyms	F1905-6991 \| NCGC00091481-01 \| ZMYAKSMZTVWUJB-UHFFFAOYSA-N \| 2,3-DIBROMOPROPIONIC ACID \| 2,3-dibromo-propionic acid \| (+/-)-2,3-DIBROMOPROPIONIC ACID \| Propionic acid, 2,3-dibromo- \| .alpha.,.beta.-Dibromopropionic acid \| NSC 175 \| BRN 1721428 \| Butyl tri
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	2,3-Dibromopropionic acid was used in chemical shift imaging during analysis of multiple samples by multiplex sample NMR methodology. It was used as surrogate standard during extraction and determination of haloacetic acid in drinking water.

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 Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds 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 - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - 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

Associated Targets(Human)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Lymphoblastoid cell (5959 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504752187
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504752187
IUPAC Name	2,3-dibromopropanoic acid
INCHI	InChI=1S/C3H4Br2O2/c4-1-2(5)3(6)7/h2H,1H2,(H,6,7)
InChIKey	ZMYAKSMZTVWUJB-UHFFFAOYSA-N
Smiles	C(C(C(=O)O)Br)Br
Isomeric SMILES	C(C(C(=O)O)Br)Br
WGK Germany	3
RTECS	UF0660000
Molecular Weight	231.87
Beilstein	1721430
Reaxy-Rn	1721428
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1721428&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

7 results found

Lot Number	Certificate Type	Date	Item
L2409394	Certificate of Analysis	Oct 26, 2024	D155446
L2409393	Certificate of Analysis	Oct 26, 2024	D155446
L2409395	Certificate of Analysis	Oct 26, 2024	D155446
L2409396	Certificate of Analysis	Oct 26, 2024	D155446
I2016076	Certificate of Analysis	Jul 16, 2024	D155446
C2425057	Certificate of Analysis	Apr 15, 2024	D155446
C1830032	Certificate of Analysis	Feb 16, 2022	D155446

Chemical and Physical Properties

Solubility	Solubility in Water very faint turbidity
Sensitivity	Light sensitive ；Air sensitive ；Heat sensitive
Boil Point(°C)	119°C/7mmHg(lit.)
Melt Point(°C)	64-66°C(lit.)
Molecular Weight	231.870 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	231.856 Da
Monoisotopic Mass	229.858 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	73.300
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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