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1-Fluoro-2-methoxy-3-nitrobenzene - 98%, high purity , CAS No.484-94-6

COA

Grade & Purity:

≥98%

Cas Number: 484-94-6
Molecular Weight: 171.1
PubChem CID: 598606

In stock

Item Number

F184728

Grouped product items
SKU	Size	Availability	Price
F184728-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$45.90
F184728-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$162.90
F184728-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$582.90

Basic Description

Synonyms	2-fluoro-6-nitroanisole \| 1-Fluoro-2-methoxy-3-nitrobenzene \| 484-94-6 \| 1-fluoro-2-methoxy-3-nitro-benzene \| 3-Fluoro-2-methoxynitrobenzene \| BENZENE, 1-FLUORO-2-METHOXY-3-NITRO- \| MFCD06656241 \| SCHEMBL589644 \| DTXSID40344657 \| Nitrobenzene, 3-fluoro-2-methoxy- \| AB1453 \| 1-
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Nitrobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Nitrophenyl ethers
Alternative Parents	Methoxyanilines Phenoxy compounds Nitroaromatic compounds Methoxybenzenes Anisoles Fluorobenzenes Alkyl aryl ethers Aryl fluorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrophenyl ether - Methoxyaniline - Anisole - Phenoxy compound - Nitroaromatic compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.
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	1-fluoro-2-methoxy-3-nitrobenzene
INCHI	InChI=1S/C7H6FNO3/c1-12-7-5(8)3-2-4-6(7)9(10)11/h2-4H,1H3
InChIKey	RVPBBFKWSJLAPD-UHFFFAOYSA-N
Smiles	COC1=C(C=CC=C1F)[N+](=O)[O-]
Isomeric SMILES	COC1=C(C=CC=C1F)[N+](=O)[O-]
Molecular Weight	171.1
Reaxy-Rn	3257998
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3257998&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	171.130 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	171.033 Da
Monoisotopic Mass	171.033 Da
Topological Polar Surface Area	55.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	171.000
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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