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2，4-dibromobutyryl bromide - ≥95%, high purity , CAS No.52412-07-4

COA

Grade & Purity:

≥95%

Cas Number: 52412-07-4
Molecular Weight: 308.79
MDL number: MFCD20265730
PubChem CID: 11289826

In stock

Item Number

D768696

Grouped product items
SKU	Size	Availability	Price	Qty
D768696-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$115.90

Basic Description

Specifications & Purity	≥95%
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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organohalogen compounds
  - Class Acyl halides
    - Subclass Acyl bromides

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Acyl halides
Subclass	Acyl bromides
Intermediate Tree Nodes	Not available
Direct Parent	Acyl bromides
Alternative Parents	Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Acyl bromide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as acyl bromides. These are organic compounds containing the functional group -CO-Br.
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

INCHI	InChI=1S/C4H5Br3O/c5-2-1-3(6)4(7)8/h3H,1-2H2
InChIKey	DMXVIRCAGMRKKJ-UHFFFAOYSA-N
Smiles	C(CBr)C(C(=O)Br)Br
Isomeric SMILES	C(CBr)C(C(=O)Br)Br
UN Number	2922
Molecular Weight	308.79

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	308.790 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	307.787 Da
Monoisotopic Mass	305.789 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	83.400
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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