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2-Nitro-5-(trifluoromethyl)benzaldehyde - 97%, high purity , CAS No.1176723-57-1

COA

Grade & Purity:

≥97%

Cas Number: 1176723-57-1
Molecular Weight: 219.12
PubChem CID: 21551747

In stock

Item Number

N189906

Grouped product items
SKU	Size	Availability	Price	Qty
N189906-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$17.90
N189906-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$72.90

Discover 2-Nitro-5-(trifluoromethyl)benzaldehyde by Aladdin Scientific in 97% for only $17.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	2-Nitro-5-(trifluoromethyl)benzaldehyde \| 1176723-57-1 \| SCHEMBL17802484 \| DTXSID60615811 \| GWFTUORCGNGELH-UHFFFAOYSA-N \| BXB72357 \| MFCD13185768 \| 2-Nitro-5-trifluoromethylbenzaldehyde \| AKOS022173845 \| CS-W021733 \| DS-3031
Specifications & Purity	≥97%
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	Nitrobenzaldehydes
Alternative Parents	Trifluoromethylbenzenes Nitroaromatic compounds Benzoyl derivatives Benzaldehydes Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organofluorides Organic salts Organic oxides Hydrocarbon derivatives Alkyl fluorides Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzaldehyde - Trifluoromethylbenzene - Benzaldehyde - Nitroaromatic compound - Benzoyl - Aryl-aldehyde - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Aldehyde - Alkyl fluoride - Organic salt - Organooxygen compound - Organonitrogen compound - Organofluoride - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Organic cation - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrobenzaldehydes. These are nitrobenzenes that carry an aldehyde group at any position of 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	2-nitro-5-(trifluoromethyl)benzaldehyde
INCHI	InChI=1S/C8H4F3NO3/c9-8(10,11)6-1-2-7(12(14)15)5(3-6)4-13/h1-4H
InChIKey	GWFTUORCGNGELH-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1C(F)(F)F)C=O)[N+](=O)[O-]
Isomeric SMILES	C1=CC(=C(C=C1C(F)(F)F)C=O)[N+](=O)[O-]
Molecular Weight	219.12
Reaxy-Rn	21471708
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21471708&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	219.120 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	219.014 Da
Monoisotopic Mass	219.014 Da
Topological Polar Surface Area	62.900 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	261.000
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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