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N-Formyl 2-chloro-5-trifluoromethylaniline - 96%, high purity , CAS No.657-63-6

COA

Grade & Purity:

≥96%

Cas Number: 657-63-6
Molecular Weight: 223.6
PubChem CID: 242309

In stock

Item Number

N185866

Grouped product items
SKU	Size	Availability	Price	Qty
N185866-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,175.90

Basic Description

Synonyms	657-63-6 \| N-(2-Chloro-5-(trifluoromethyl)phenyl)formamide \| N-Formyl 2-chloro-5-trifluoromethylaniline \| n-[2-chloro-5-(trifluoromethyl)phenyl]formamide \| NSC50863 \| 4-Chloro-3-formamidobenzotrifluoride \| SCHEMBL1758609 \| DTXSID20287391 \| XEAIJWFDADPVCD-UHFFFAOYSA-N \| MFC
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 Trifluoromethylbenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Trifluoromethylbenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Trifluoromethylbenzenes
Alternative Parents	Anilides N-arylamides Chlorobenzenes Aryl chlorides Secondary carboxylic acid amides Organopnictogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Anilide - N-arylamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Alkyl fluoride - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - 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-[2-chloro-5-(trifluoromethyl)phenyl]formamide
INCHI	InChI=1S/C8H5ClF3NO/c9-6-2-1-5(8(10,11)12)3-7(6)13-4-14/h1-4H,(H,13,14)
InChIKey	XEAIJWFDADPVCD-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1C(F)(F)F)NC=O)Cl
Isomeric SMILES	C1=CC(=C(C=C1C(F)(F)F)NC=O)Cl
Molecular Weight	223.6
Reaxy-Rn	2647675
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2647675&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	223.580 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	223.001 Da
Monoisotopic Mass	223.001 Da
Topological Polar Surface Area	29.100 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	209.000
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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