2,3-Dibromopropionic Acid - ≥97% , CAS No.600-05-5

CAS: 600-05-5 Cat. No.: D155446 Formula: C₃H₄Br₂O₂ Peso molecolare: 231.87 Beilstein Registry Number: 1721430 Numero EC: 209-981-1

GRADE & PURITY ≥97%

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

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Panoramica

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.

Specifications

Sinonimi

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

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 504752187
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752187
• Sorrisi canonici: C(C(C(=O)O)Br)Br
• IUPAC Name: 2,3-dibromopropanoic acid
• InChIKey: ZMYAKSMZTVWUJB-UHFFFAOYSA-N
• INCHI: 1S/C3H4Br2O2/c4-1-2(5)3(6)7/h2H,1H2,(H,6,7)
• Isomeri SMILES: C(C(C(=O)O)Br)Br
• WGK Germania: 3
• RTECS: UF0660000
• Peso molecolare: 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=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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
• Descrizione: 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

Data sources

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

Obiettivi associati (umani)

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

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

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

Obiettivi associati (non umani)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solubility in Water very faint turbidity
• Sensibilità: Light sensitive ；Air sensitive ；Heat sensitive
• Punto di ebollizione (°C): 119°C/7mmHg(lit.)
• Punto di fusione (°C): 64-66°C(lit.)
• Peso molecolare: 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 Ų
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 600-05-5, the molecular formula is C3H4Br2O2, and the molecular weight is 231.87 g/mol. InChIKey ZMYAKSMZTVWUJB-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.