Skip to the beginning of the images gallery

2,3,4-Trifluoronitrobenzene - >98.0%(GC), high purity , CAS No.771-69-7

COA

Grade & Purity:

≥98%(GC)

Cas Number: 771-69-7
Molecular Weight: 177.08
Beilstein Registry Number: 5(4)720
MDL number: MFCD00041546
PubChem CID: 69871
PubChem SID: 488184421

In stock

Item Number

T162596

Grouped product items
SKU	Size	Availability	Price
T162596-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$19.90
T162596-25g	25g	7	$76.90
T162596-100g	100g	3	$273.90
T162596-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,231.90

View related series

Non heterocyclic fluorine-containing block (1408) Synthetic block (741)

Basic Description

Synonyms	AC-10203 \| SCHEMBL57498 \| InChI=1/C6H2F3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H \| AKOS006221877 \| ARCACZWMYGILNI-UHFFFAOYSA- \| AS-12427 \| EINECS 212-238-4 \| W-104327 \| DTXSID30227889 \| 1,2,3-Trifluoro-4-nitrobenzene \| 1,2,3-trifluoro-4-nitro-benzene \| A97
Specifications & Purity	≥98%(GC)
Shipped In	Normal
Product Description	2,3,4-Trifluoronitrobenzene is a fluoronitrobenzene and its biotransformation under methanogenic conditions has been studied by semicontinuous and batch tests. 2,3,4-Trifluoronitrobenzene is an important pharmaceutical intermediate. 2,3,4-Trifluoronitrobenzene was employed as starting reagent in the synthesis of ofloxacin. It was also used in the synthesis of the third generation quinolones antibacterial drugs.

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	Nitrobenzenes
Alternative Parents	Nitroaromatic compounds Fluorobenzenes Aryl fluorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzene - Nitroaromatic compound - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organofluoride - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
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	488184421
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488184421
IUPAC Name	1,2,3-trifluoro-4-nitrobenzene
INCHI	InChI=1S/C6H2F3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H
InChIKey	ARCACZWMYGILNI-UHFFFAOYSA-N
Smiles	C1=CC(=C(C(=C1[N+](=O)[O-])F)F)F
Isomeric SMILES	C1=CC(=C(C(=C1[N+](=O)[O-])F)F)F
WGK Germany	3
PubChem CID	69871
Molecular Weight	177.08
Beilstein	5(4)720
Reaxy-Rn	2449746

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

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot Number	Certificate Type	Date	Item
G1703067	Certificate of Analysis	Feb 08, 2025	T162596
E2306675	Certificate of Analysis	Oct 13, 2021	T162596

Chemical and Physical Properties

Refractive Index	1.492
Flash Point(°F)	199.4 °F
Flash Point(°C)	93°C
Boil Point(°C)	91-93°/20mmHg
Molecular Weight	177.080 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	177.004 Da
Monoisotopic Mass	177.004 Da
Topological Polar Surface Area	45.800 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	184.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration