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4-bromo-3-fluoro-2-methyl-phenol - 97%, high purity , CAS No.1262516-23-3

COA

Grade & Purity:

≥97%

Cas Number: 1262516-23-3
Molecular Weight: 205.02
PubChem CID: 74888551

In stock

Item Number

B637528

Grouped product items
SKU	Size	Availability	Price	Qty
B637528-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$481.90

Basic Description

Synonyms	4-bromo-3-fluoro-2-methylphenol \| 1262516-23-3 \| SCHEMBL20835480 \| 4-Bbromo-3-fluoro-2-methylphenol \| MFCD22414511 \| AKOS027315027 \| BS-40610 \| E76538
Specifications & Purity	≥97%
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	Ortho cresols
Alternative Parents	P-bromophenols M-fluorophenols Toluenes Fluorobenzenes Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Aryl bromides Organooxygen compounds Organofluorides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	4-halophenol - 3-halophenol - 3-fluorophenol - O-cresol - 4-bromophenol - Halobenzene - Fluorobenzene - Bromobenzene - Toluene - 1-hydroxy-2-unsubstituted benzenoid - Aryl halide - Aryl fluoride - Aryl bromide - Monocyclic benzene moiety - Organooxygen compound - Organofluoride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as ortho cresols. These are organic compounds containing an ortho-cresol moiety, which consists of a benzene bearing one hydroxyl group at ring positions 1 and 2, 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

IUPAC Name	4-bromo-3-fluoro-2-methylphenol
INCHI	InChI=1S/C7H6BrFO/c1-4-6(10)3-2-5(8)7(4)9/h2-3,10H,1H3
InChIKey	BOINEAWTTLAFEN-UHFFFAOYSA-N
Smiles	CC1=C(C=CC(=C1F)Br)O
Isomeric SMILES	CC1=C(C=CC(=C1F)Br)O
PubChem CID	74888551
Molecular Weight	205.02

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	205.020 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	203.959 Da
Monoisotopic Mass	203.959 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	120.000
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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