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5-Fluoro-N-isopropyl-2-nitroaniline - 98%, high purity , CAS No.131885-33-1

COA

Grade & Purity:

≥98%

Cas Number: 131885-33-1
Molecular Weight: 198.2
PubChem CID: 10631807

In stock

Item Number

F181157

Grouped product items
SKU	Size	Availability	Price	Qty
F181157-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,470.90

Discover 5-Fluoro-N-isopropyl-2-nitroaniline by Aladdin Scientific in 98% for only $1,470.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	5-Fluoro-N-isopropyl-2-nitroaniline \| 131885-33-1 \| 5-fluoro-2-nitro-N-propan-2-ylaniline \| Benzenamine, 5-fluoro-N-(1-methylethyl)-2-nitro- \| 5-fluoro-2-nitro-N-(propan-2-yl)aniline \| SCHEMBL2975856 \| DTXSID80442722 \| WNHWAHLPBFAQLD-UHFFFAOYSA-N \| MFCD16744202 \| AKOS01166
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Amines
      - Level5 Aralkylamines
        Level6 Phenylalkylamines
        Level7 Phenylisopropylamines

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Amines
Intermediate Tree Nodes	Aralkylamines - Phenylalkylamines
Direct Parent	Phenylisopropylamines
Alternative Parents	Nitrobenzenes Nitroaromatic compounds Aniline and substituted anilines Secondary alkylarylamines Fluorobenzenes Aryl fluorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organofluorides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylisopropylamine - Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organic nitro compound - C-nitro compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylisopropylamines. These are organic aromatic compounds containing a 1-phenylpropan-2-amine moiety.
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-2-nitro-N-propan-2-ylaniline
INCHI	InChI=1S/C9H11FN2O2/c1-6(2)11-8-5-7(10)3-4-9(8)12(13)14/h3-6,11H,1-2H3
InChIKey	WNHWAHLPBFAQLD-UHFFFAOYSA-N
Smiles	CC(C)NC1=C(C=CC(=C1)F)[N+](=O)[O-]
Isomeric SMILES	CC(C)NC1=C(C=CC(=C1)F)[N+](=O)[O-]
Molecular Weight	198.2
Reaxy-Rn	7583054
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7583054&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	198.190 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	198.08 Da
Monoisotopic Mass	198.08 Da
Topological Polar Surface Area	57.900 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	205.000
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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