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2-Amino-4-fluoro-6-methylphenol hydrochloride - 95%, high purity , CAS No.1588440-98-5

COA

Grade & Purity:

≥95%

Cas Number: 1588440-98-5
Molecular Weight: 177.6
PubChem CID: 72710426

In stock

Item Number

A191186

Grouped product items
SKU	Size	Availability	Price	Qty
A191186-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$157.90
A191186-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$471.90

Basic Description

Synonyms	2-Amino-4-fluoro-6-methylphenol hydrochloride \| 1588440-98-5 \| 2-amino-4-fluoro-6-methylphenol;hydrochloride \| 2-Amino-4-fluoro-6-methylphenol HCl \| AKOS022186563 \| DS-3116 \| 2-Amino-4-fluoro-6-methylphenolhydrochloride \| C72997 \| A906494
Specifications & Purity	≥95%
Storage Temp	Room temperature
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	o-Aminophenols P-fluorophenols Aniline and substituted anilines Aminotoluenes Fluorobenzenes Aryl fluorides Primary amines Organooxygen compounds Organofluorides Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aminophenol - O-aminophenol - 4-halophenol - O-cresol - Aminotoluene - Aniline or substituted anilines - 4-fluorophenol - Fluorobenzene - Halobenzene - Toluene - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrochloride - Primary amine - 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	2-amino-4-fluoro-6-methylphenol;hydrochloride
INCHI	InChI=1S/C7H8FNO.ClH/c1-4-2-5(8)3-6(9)7(4)10;/h2-3,10H,9H2,1H3;1H
InChIKey	ZKYAFLUDEKETOZ-UHFFFAOYSA-N
Smiles	CC1=CC(=CC(=C1O)N)F.Cl
Isomeric SMILES	CC1=CC(=CC(=C1O)N)F.Cl
PubChem CID	72710426
Molecular Weight	177.6

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	177.600 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	177.036 Da
Monoisotopic Mass	177.036 Da
Topological Polar Surface Area	46.300 Å²
Heavy Atom Count	11
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	2

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