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4-Bromo-3,5-dimethylphenol - 90%, high purity , CAS No.7463-51-6

COA

Grade & Purity:

≥90%

Cas Number: 7463-51-6
Molecular Weight: 201.06
EC Number: 231-255-8
MDL number: MFCD00002315
PubChem CID: 81970
PubChem SID: 504755569

In stock

Item Number

B298759

Grouped product items
SKU	Size	Availability	Price	Qty
B298759-100g	100g	4	$206.90
B298759-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$756.90

Basic Description

Synonyms	3,5-dimethyl-4-bromophenol \| SB17652 \| STL066164 \| 4,5-Difluoro-2-nitrophenylamine \| NSC 404385 \| 9WQ7LMJ34Z \| AI3-18189 \| SY013151 \| B2146 \| EINECS 231-255-8 \| DTXSID40225614 \| 4-Bromo-3,5-dimethyl-2,5-cyclohexadien-1-one \| InChI=1/C8H9BrO/c1-5-3-7(10)4-
Specifications & Purity	≥90%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenols
    - Subclass Cresols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	Cresols
Intermediate Tree Nodes	Not available
Direct Parent	Meta cresols
Alternative Parents	m-Xylenes P-bromophenols Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Organooxygen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	M-xylene - Xylene - 4-bromophenol - M-cresol - 4-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as meta cresols. These are aromatic compounds containing a meta-cresol moiety, which consists of a benzene ring bearing a methyl group and a hydroxyl group at ring positions 1 and 3, respectively.
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	504755569
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504755569
IUPAC Name	4-bromo-3,5-dimethylphenol
INCHI	InChI=1S/C8H9BrO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3
InChIKey	WMUWDPLTTLJNPE-UHFFFAOYSA-N
Smiles	CC1=CC(=CC(=C1Br)C)O
Isomeric SMILES	CC1=CC(=CC(=C1Br)C)O
Molecular Weight	201.06
Reaxy-Rn	2207127
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2207127&ln=

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

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

Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
D2017123	Certificate of Analysis	Feb 05, 2024	B298759
L2212304	Certificate of Analysis	Dec 16, 2022	B298759

Chemical and Physical Properties

Melt Point(°C)	115°C
Molecular Weight	201.060 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	199.984 Da
Monoisotopic Mass	199.984 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	104.000
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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