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2，4-Difluoro-3-Methoxybenzylamine - ≥98%, high purity , CAS No.717094-51-4

COA

Grade & Purity:

≥98%

Cas Number: 717094-51-4
Molecular Weight: 173.16
PubChem CID: 3614689

In stock

Item Number

D708775

Grouped product items
SKU	Size	Availability	Price
D708775-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$265.90
D708775-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$449.90
D708775-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,019.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenylmethylamines

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylmethylamines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylmethylamines
Alternative Parents	Phenoxy compounds Methoxybenzenes Benzylamines Anisoles Fluorobenzenes Aralkylamines Alkyl aryl ethers Aryl fluorides Organofluorides Monoalkylamines Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Anisole - Phenoxy compound - Benzylamine - Phenol ether - Methoxybenzene - Phenylmethylamine - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aralkylamine - Aryl halide - Aryl fluoride - Ether - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Organic nitrogen compound - Amine - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Primary amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
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	(2,4-difluoro-3-methoxyphenyl)methanamine
INCHI	InChI=1S/C8H9F2NO/c1-12-8-6(9)3-2-5(4-11)7(8)10/h2-3H,4,11H2,1H3
InChIKey	AAZMLHVLBRWOGC-UHFFFAOYSA-N
Smiles	COC1=C(C=CC(=C1F)CN)F
Isomeric SMILES	COC1=C(C=CC(=C1F)CN)F
PubChem CID	3614689
Molecular Weight	173.16

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	173.160 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	173.065 Da
Monoisotopic Mass	173.065 Da
Topological Polar Surface Area	35.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	145.000
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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