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5-Fluoro-1-methoxy-2-methyl-3-nitrobenzene - 95%, high purity , CAS No.1167055-65-3

COA

Grade & Purity:

≥95%

Cas Number: 1167055-65-3
Molecular Weight: 185.15
PubChem CID: 53399529

In stock

Item Number

F189874

Grouped product items
SKU	Size	Availability	Price	Qty
F189874-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
F189874-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$19.90

Discover 5-Fluoro-1-methoxy-2-methyl-3-nitrobenzene by Aladdin Scientific in 95% for only $9.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	5-Fluoro-1-methoxy-2-methyl-3-nitrobenzene \| 1167055-65-3 \| 4-Fluoro-2-methoxy-6-nitrotoluene \| DTXSID90694639 \| 5-Fluoro-2-methyl-3-nitroanisole \| AKOS022174961 \| AS-66521 \| CS-0187139 \| Benzene, 5-fluoro-1-methoxy-2-methyl-3-nitro- \| A893529
Specifications & Purity	≥95%
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 Nitrotoluenes Phenoxy compounds Anisoles Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Fluorobenzenes Aryl fluorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Organic salts Organofluorides Organonitrogen compounds Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrophenyl ether - Nitrotoluene - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Toluene - Aryl fluoride - Aryl halide - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Organic salt - Organopnictogen compound - Organofluoride - Organonitrogen compound - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic cation - 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	5-fluoro-1-methoxy-2-methyl-3-nitrobenzene
INCHI	InChI=1S/C8H8FNO3/c1-5-7(10(11)12)3-6(9)4-8(5)13-2/h3-4H,1-2H3
InChIKey	NGWSPKQZQKGKPB-UHFFFAOYSA-N
Smiles	CC1=C(C=C(C=C1OC)F)[N+](=O)[O-]
Isomeric SMILES	CC1=C(C=C(C=C1OC)F)[N+](=O)[O-]
Molecular Weight	185.15
Reaxy-Rn	33803294
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33803294&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	185.150 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	185.049 Da
Monoisotopic Mass	185.049 Da
Topological Polar Surface Area	55.100 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	194.000
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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