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N-Cyclopropyl-2-nitro-4-trifluoromethylaniline - 98%, high purity , CAS No.887351-41-9

COA

Grade & Purity:

≥98%

Cas Number: 887351-41-9
Molecular Weight: 246.2
PubChem CID: 17381695

In stock

Item Number

N187784

Grouped product items
SKU	Size	Availability	Price	Qty
N187784-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,566.90

Discover N-Cyclopropyl-2-nitro-4-trifluoromethylaniline by Aladdin Scientific in 98% for only $1,566.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	887351-41-9 \| N-Cyclopropyl-2-nitro-4-(trifluoromethyl)aniline \| N-CYCLOPROPYL-2-NITRO-4-TRIFLUOROMETHYLANILINE \| DTXSID90589556 \| MFCD06149926 \| AKOS003348669 \| SB77282 \| LS-07607 \| CS-0458545 \| A861521
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 Trifluoromethylbenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Trifluoromethylbenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Trifluoromethylbenzenes
Alternative Parents	Nitrobenzenes Phenylalkylamines Nitroaromatic compounds Aniline and substituted anilines Secondary alkylarylamines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organofluorides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - C-nitro compound - Organic nitro compound - Organic oxoazanium - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic zwitterion - Alkyl halide - Organic oxide - Organonitrogen compound - Organofluoride - Alkyl fluoride - Organohalogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
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	N-cyclopropyl-2-nitro-4-(trifluoromethyl)aniline
INCHI	InChI=1S/C10H9F3N2O2/c11-10(12,13)6-1-4-8(14-7-2-3-7)9(5-6)15(16)17/h1,4-5,7,14H,2-3H2
InChIKey	TVYYMXQIRKBFDY-UHFFFAOYSA-N
Smiles	C1CC1NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
Isomeric SMILES	C1CC1NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
Molecular Weight	246.2
Reaxy-Rn	56727841
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=56727841&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	246.190 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	246.062 Da
Monoisotopic Mass	246.062 Da
Topological Polar Surface Area	57.900 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	299.000
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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