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4-Nitro-2-(trifluoromethyl)aniline - ≥98.0%, high purity , CAS No.121-01-7

3 Citations

COA

Grade & Purity:

≥98%

Cas Number: 121-01-7
Molecular Weight: 206.12
Beilstein Registry Number: 2121347
EC Number: 204-443-2
MDL number: MFCD00007365
PubChem CID: 67128
PubChem SID: 488183899

In stock

Item Number

N123761

Grouped product items
SKU	Size	Availability	Price
N123761-1g	1g	3	$11.90
N123761-5g	5g	3	$25.90
N123761-25g	25g	3	$45.90
N123761-100g	100g	2	$164.90
N123761-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$738.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	EN300-17348 \| 2-trifluormethyl-4-nitroaniline \| 4-Nitro-2-(trifluoromethyl)aniline # \| Z56922111 \| SCHEMBL1532376 \| 4-Nitro-alpha,alpha,alpha-trifluoro-o-toluidine \| 2-Amino-5-nitrobenzotrifluoride \| 4-Nitro-2-(trifluoromethyl)aniline, 98% \| 2-Amino-5-nit
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	4-Nitro-2-(trifluoromethyl)aniline undergoes diazotization and coupling with: · N-hydroxyalkylamino-5-napthols · pyrazolones and naptholsulphonic acids · N-(2-cyanoethyl)-N-(hydroxyalkyl)anilines

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 Nitroaromatic compounds Aniline and substituted anilines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organopnictogen compounds Organofluorides Organic zwitterions Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Primary amine - Organonitrogen compound - Organofluoride - Organopnictogen compound - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - 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

Pubchem Sid	488183899
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488183899
IUPAC Name	4-nitro-2-(trifluoromethyl)aniline
INCHI	InChI=1S/C7H5F3N2O2/c8-7(9,10)5-3-4(12(13)14)1-2-6(5)11/h1-3H,11H2
InChIKey	HOTZLWVITTVZGY-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)N
Isomeric SMILES	C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)N
WGK Germany	3
Molecular Weight	206.12
Beilstein	2121347
Reaxy-Rn	2121347
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2121347&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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9 results found

Lot Number	Certificate Type	Date	Item
E2113330	Certificate of Analysis	Feb 07, 2025	N123761
E2113331	Certificate of Analysis	Feb 07, 2025	N123761
H2017190	Certificate of Analysis	Jun 15, 2024	N123761
G2418214	Certificate of Analysis	Apr 28, 2024	N123761
G2418215	Certificate of Analysis	Apr 28, 2024	N123761
G2418216	Certificate of Analysis	Apr 28, 2024	N123761
H1520108	Certificate of Analysis	Apr 13, 2023	N123761
D2323858	Certificate of Analysis	May 17, 2021	N123761
E2113329	Certificate of Analysis	May 17, 2021	N123761

Chemical and Physical Properties

Melt Point(°C)	90.0-94.0°C
Molecular Weight	206.120 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	206.03 Da
Monoisotopic Mass	206.03 Da
Topological Polar Surface Area	71.800 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	226.000
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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