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1-Bromo-2,3,5,6-tetramethylbenzene - 98%, high purity , CAS No.1646-53-3

COA

Grade & Purity:

≥98%

Cas Number: 1646-53-3
Molecular Weight: 213.11
MDL number: MFCD00000070
PubChem CID: 74240
PubChem SID: 488184891

In stock

Item Number

B167751

Grouped product items
SKU	Size	Availability	Price
B167751-1g	1g	5	$45.90
B167751-5g	5g	3	$155.90
B167751-10g	10g	3	$275.90
B167751-25g	25g	4	$618.90
B167751-100g	100g	3	$1,992.90

Basic Description

Synonyms	Duryl bromide \| AB-131/40897155 \| Bromodurene, Pract. \| Bromodurene \| SCHEMBL1793576 \| NSC87881 \| NSC-87881 \| D94545 \| SY251372 \| EINECS 216-707-4 \| DTXSID20167780 \| AKOS000202445 \| MFCD00000070 \| NSC 87881 \| 1-Bromo-2,5,6-tetramethylbenzene \| 3-Bromo-1,2
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Bromobenzenes
Alternative Parents	Aryl bromides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	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 bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
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	488184891
IUPAC Name	3-bromo-1,2,4,5-tetramethylbenzene
INCHI	InChI=1S/C10H13Br/c1-6-5-7(2)9(4)10(11)8(6)3/h5H,1-4H3
InChIKey	WJKBPTLQJXKEHC-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C(=C1C)Br)C)C
Isomeric SMILES	CC1=CC(=C(C(=C1C)Br)C)C
WGK Germany	3
Molecular Weight	213.11
Reaxy-Rn	2207158
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2207158&ln=

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

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

Analytical Chart:

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9 results found

Lot Number	Certificate Type	Date	Item
G2207138	Certificate of Analysis	Apr 03, 2025	B167751
G2207137	Certificate of Analysis	Apr 03, 2025	B167751
G2207135	Certificate of Analysis	Apr 03, 2025	B167751
G2207134	Certificate of Analysis	Apr 03, 2025	B167751
C2009050	Certificate of Analysis	Dec 14, 2022	B167751
L2409220	Certificate of Analysis	Jun 06, 2022	B167751
C2525818	Certificate of Analysis	Jun 06, 2022	B167751
C2317449	Certificate of Analysis	Dec 30, 2021	B167751
L2129017	Certificate of Analysis	Dec 30, 2021	B167751

Chemical and Physical Properties

Boil Point(°C)	111-113°C/6mmHg
Melt Point(°C)	60-62 °C
Molecular Weight	213.110 g/mol
XLogP3	4.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	212.02 Da
Monoisotopic Mass	212.02 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	119.000
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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