Skip to the beginning of the images gallery

1,4-Bis(1,2-dibromoethyl)benzene - >97.0%(GC)(T), high purity , CAS No.25393-98-0

COA

Grade & Purity:

≥97%(GC)(T)

Cas Number: 25393-98-0
Molecular Weight: 449.81
MDL number: MFCD00017881
PubChem CID: 97018

In stock

Item Number

B405491

Grouped product items
SKU	Size	Availability	Price	Qty
B405491-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$167.90

View related series

Haloalkane (186) Non heterocyclic block (8163)

Basic Description

Synonyms	DTXSID40948250 \| AKOS024429510 \| FT-0638519 \| p-Bis(1,2-dibromoethyl)benzene \| AS-75509 \| Benzene, 1,4-bis(1,2-dibromoethyl)- \| 3-05-00-00970 (Beilstein Handbook Reference) \| EINECS 246-936-5 \| BRN 1961936 \| NSC96981 \| NSC-96981 \| alpha,alpha',beta,beta'-
Specifications & Purity	≥97%(GC)(T)
Storage Temp	Argon charged

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzene and substituted derivatives
Alternative Parents	Organobromides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Monocyclic benzene moiety - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
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	1,4-bis(1,2-dibromoethyl)benzene
INCHI	InChI=1S/C10H10Br4/c11-5-9(13)7-1-2-8(4-3-7)10(14)6-12/h1-4,9-10H,5-6H2
InChIKey	KDBQQANTDCVPDZ-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C(CBr)Br)C(CBr)Br
Isomeric SMILES	C1=CC(=CC=C1C(CBr)Br)C(CBr)Br
RTECS	CY8440000
UN Number	1759
Packing Group	III
Molecular Weight	449.81
Reaxy-Rn	1961936
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1961936&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Air Sensitive
Melt Point(°C)	159 °C
Molecular Weight	449.800 g/mol
XLogP3	4.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	4
Exact Mass	449.748 Da
Monoisotopic Mass	445.752 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	136.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration