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2,5-Dimethylbromobenzene - 98%, high purity , CAS No.553-94-6

COA

Grade & Purity:

≥98%

Cas Number: 553-94-6
Molecular Weight: 185.06
Beilstein Registry Number: 5385
EC Number: 209-055-7
MDL number: MFCD00000074
PubChem CID: 11121
PubChem SID: 488181263

In stock

Item Number

D107975

Grouped product items
SKU	Size	Availability	Price
D107975-25g	25g	7	$12.90
D107975-100g	100g	2	$16.90
D107975-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$30.90

View related series

Aryl halides (excluding fluorides) (243) Non heterocyclic block (8163)

Basic Description

Synonyms	AKOS000202444 \| A8021 \| 1,4-Dimethyl-2-bromobenzene \| 2,5-Dimethylbromobenzene \| EINECS 209-055-7 \| NSC8051 \| NSC-8051 \| J-802069 \| Bromo-p-xylene \| Monobromo-p-Xylene \| 2,5-Xylyl bromide \| NSC 8051 \| 2,5-Dimethylphenyl bromide \| FT-0611610 \| Q-101902 \| 2
Specifications & Purity	≥98%
Storage Temp	Protected from light
Shipped In	Normal
Product Description	2-Bromo-1,4-dimethylbenzene was used in the synthesis of 2,5,2′,5′-tetrakismethylbiphenyl via Yamamoto coupling reaction. It was also used in the synthesis of cis-3,4-diphenyl-5,8-dimethylisocoumarins.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Xylenes
Intermediate Tree Nodes	Not available
Direct Parent	p-Xylenes
Alternative Parents	Bromobenzenes Aryl bromides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	P-xylene - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as p-xylenes. These are aromatic compounds that contain a p-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 4-positions.
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

Pubchem Sid	488181263
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488181263
IUPAC Name	2-bromo-1,4-dimethylbenzene
INCHI	InChI=1S/C8H9Br/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3
InChIKey	QXISTPDUYKNPLU-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C=C1)C)Br
Isomeric SMILES	CC1=CC(=C(C=C1)C)Br
WGK Germany	3
Molecular Weight	185.06
Beilstein	5385
Reaxy-Rn	2040350
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2040350&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
D2301412	Certificate of Analysis	Jan 20, 2025	D107975
K1805058	Certificate of Analysis	Mar 08, 2024	D107975
A2206726	Certificate of Analysis	Oct 12, 2023	D107975
A2206771	Certificate of Analysis	Oct 12, 2023	D107975
A2206716	Certificate of Analysis	Oct 12, 2023	D107975
C2120174	Certificate of Analysis	Dec 15, 2022	D107975

Chemical and Physical Properties

Sensitivity	Light sensitive.
Freezing Point(°C)	7 °C
Refractive Index	1.55
Flash Point(°F)	174.2 °F
Flash Point(°C)	79 °C
Boil Point(°C)	199-201°C
Melt Point(°C)	9-10°C
Molecular Weight	185.060 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	183.989 Da
Monoisotopic Mass	183.989 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	90.600
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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