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1,3-Difluoro-2-methyl-5-nitrobenzene - 96%, high purity , CAS No.170572-48-2

COA

Grade & Purity:

≥96%

Cas Number: 170572-48-2
Molecular Weight: 173.12
PubChem CID: 2774183

In stock

Item Number

D191482

Grouped product items
SKU	Size	Availability	Price
D191482-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$81.90
D191482-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$169.90
D191482-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$513.90

Discover 1,3-Difluoro-2-methyl-5-nitrobenzene by Aladdin Scientific in 96% for only $81.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1,3-difluoro-2-methyl-5-nitrobenzene \| 170572-48-2 \| 2,6-Difluoro-4-nitrotoluene \| SCHEMBL8467266 \| DTXSID40378932 \| CL9292 \| MFCD03094192 \| AKOS015995496 \| CS-W021279 \| DS-5206
Specifications & Purity	≥96%
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	Nitrobenzenes
Alternative Parents	Nitrotoluenes Nitroaromatic compounds Fluorobenzenes 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	Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Fluorobenzene - Halobenzene - Toluene - Aryl fluoride - Aryl halide - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
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	1,3-difluoro-2-methyl-5-nitrobenzene
INCHI	InChI=1S/C7H5F2NO2/c1-4-6(8)2-5(10(11)12)3-7(4)9/h2-3H,1H3
InChIKey	QRGQSKODTJDDHT-UHFFFAOYSA-N
Smiles	CC1=C(C=C(C=C1F)[N+](=O)[O-])F
Isomeric SMILES	CC1=C(C=C(C=C1F)[N+](=O)[O-])F
Molecular Weight	173.12
Reaxy-Rn	37724531
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37724531&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	173.120 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	173.029 Da
Monoisotopic Mass	173.029 Da
Topological Polar Surface Area	45.800 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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