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3-Fluoro-2-methylphenol - 98%, high purity , CAS No.443-87-8

COA

Grade & Purity:

≥98%

Cas Number: 443-87-8
Molecular Weight: 126.13
PubChem CID: 302628
PubChem SID: 504758396

In stock

Item Number

F589138

Grouped product items
SKU	Size	Availability	Price
F589138-1g	1g	3	$10.90
F589138-5g	5g	2	$36.90
F589138-10g	10g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$59.90
F589138-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$134.90
F589138-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$456.90

Basic Description

Synonyms	fluorocresol \| 2-methyl-3-fluorophenol \| 3-Fluoro-2-Methyl Phenol \| 3-Fluoro-2-methylphenol, AldrichCPR \| BBL102766 \| AM61553 \| NSC190309 \| NSC-190309 \| AC-3799 \| SY023068 \| MFCD03788546 \| STL556572 \| OMGVVVBQKWNRQA-UHFFFAOYSA-N \| DTXSID70307159 \| PS-9177
Specifications & Purity	≥98%
Storage Temp	Desiccated
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	M-fluorophenols Toluenes Fluorobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Organooxygen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	3-halophenol - 3-fluorophenol - O-cresol - Fluorobenzene - Halobenzene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Organohalogen compound - Organofluoride - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - 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

Pubchem Sid	504758396
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504758396
IUPAC Name	3-fluoro-2-methylphenol
INCHI	InChI=1S/C7H7FO/c1-5-6(8)3-2-4-7(5)9/h2-4,9H,1H3
InChIKey	OMGVVVBQKWNRQA-UHFFFAOYSA-N
Smiles	CC1=C(C=CC=C1F)O
Isomeric SMILES	CC1=C(C=CC=C1F)O
Molecular Weight	126.13
Reaxy-Rn	3235336
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3235336&ln=

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

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

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
H2331527	Certificate of Analysis	Aug 17, 2023	F589138
H2331530	Certificate of Analysis	Aug 17, 2023	F589138
H2331533	Certificate of Analysis	Aug 17, 2023	F589138
H2331521	Certificate of Analysis	Aug 17, 2023	F589138
H2331535	Certificate of Analysis	Aug 17, 2023	F589138

Chemical and Physical Properties

Melt Point(°C)	56.5°
Molecular Weight	126.130 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	126.048 Da
Monoisotopic Mass	126.048 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	94.900
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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