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2,3,5,6-Tetrabromo-p-cresol - 97.0%(GC), high purity , CAS No.37721-75-8

COA

Grade & Purity:

≥97%(GC)

Cas Number: 37721-75-8
Molecular Weight: 423.72
Beilstein Registry Number: 6(3)1383
MDL number: MFCD00060318
PubChem CID: 458139

In stock

Item Number

T162263

Grouped product items
SKU	Size	Availability	Price
T162263-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
T162263-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$28.90
T162263-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$138.90

View related series

Oxygenated compounds (806) phenol (506)

Basic Description

Synonyms	D95319 \| Phenol, 2,3,5,6-tetrabromo-4-methyl- \| 2,3,5,6-Tetrabromo-p-cresol \| MFCD00060318 \| A823842 \| T1430 \| FT-0609402 \| AS-61379 \| Tetrabrom-p-kresol \| AKOS015834914 \| CS-0206064 \| DTXSID80332472 \| 2,3,5,6-Tetrabromo-4-methylphenol \| 2,3,5,6-tetrabrom
Specifications & Purity	≥97%(GC)
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	Para cresols
Alternative Parents	O-bromophenols M-bromophenols Toluenes Bromobenzenes Aryl bromides Organooxygen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	3-halophenol - 2-halophenol - 3-bromophenol - P-cresol - 2-bromophenol - Bromobenzene - Halobenzene - Toluene - Aryl halide - Aryl bromide - Monocyclic benzene moiety - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organohalogen compound - Organobromide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as para cresols. These are compounds containing a para cresol moiety, which consists of a benzene ring bearing one hydroxyl group at ring positions 1 and 4.
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	2,3,5,6-tetrabromo-4-methylphenol
INCHI	InChI=1S/C7H4Br4O/c1-2-3(8)5(10)7(12)6(11)4(2)9/h12H,1H3
InChIKey	OMVMKSWFUQZIFD-UHFFFAOYSA-N
Smiles	CC1=C(C(=C(C(=C1Br)Br)O)Br)Br
Isomeric SMILES	CC1=C(C(=C(C(=C1Br)Br)O)Br)Br
PubChem CID	458139
Molecular Weight	423.72
Beilstein	6(3)1383
Reaxy-Rn	3269445

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	198 °C
Molecular Weight	423.720 g/mol
XLogP3	4.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	423.695 Da
Monoisotopic Mass	419.7 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	149.000
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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