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3,4-Dichloro-2-nitro-6-(trifluoromethyl)toluene - 97%, high purity , CAS No.115571-66-9

COA

Grade & Purity:

≥97%

Cas Number: 115571-66-9
Molecular Weight: 274.02
PubChem CID: 3852427

In stock

Item Number

D189826

Grouped product items
SKU	Size	Availability	Price
D189826-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
D189826-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$14.90
D189826-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$25.90
D189826-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$66.90
D189826-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$169.90

Discover 3,4-Dichloro-2-nitro-6-(trifluoromethyl)toluene by Aladdin Scientific in 97% for only $9.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	3,4-dichloro-2-nitro-6-(trifluoromethyl)toluene \| 115571-66-9 \| 1,2-dichloro-4-methyl-3-nitro-5-(trifluoromethyl)benzene \| Benzene, 1,2-dichloro-4-methyl-3-nitro-5-(trifluoromethyl)- \| C8H4Cl2F3NO2 \| 3,4-Dichloro-6-trifluoromethyl-2-nitrotoluene \| SCHEMBL2612651 \| DTXS
Specifications & Purity	≥97%
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	Nitrotoluenes Nitrobenzenes Nitroaromatic compounds Dichlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organofluorides Organochlorides Organic salts Organic oxides Hydrocarbon derivatives Alkyl fluorides Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Nitrobenzene - Nitrotoluene - 1,2-dichlorobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organic salt - Organochloride - Organofluoride - Organohalogen compound - Organic oxygen compound - Organonitrogen compound - Alkyl halide - Organic nitrogen compound - Alkyl fluoride - Organic oxide - Organic cation - 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	1,2-dichloro-4-methyl-3-nitro-5-(trifluoromethyl)benzene
INCHI	InChI=1S/C8H4Cl2F3NO2/c1-3-4(8(11,12)13)2-5(9)6(10)7(3)14(15)16/h2H,1H3
InChIKey	IBRWCYHTODRXJR-UHFFFAOYSA-N
Smiles	CC1=C(C(=C(C=C1C(F)(F)F)Cl)Cl)[N+](=O)[O-]
Isomeric SMILES	CC1=C(C(=C(C=C1C(F)(F)F)Cl)Cl)[N+](=O)[O-]
Molecular Weight	274.02
Reaxy-Rn	15483357
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15483357&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	274.020 g/mol
XLogP3	4.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	272.957 Da
Monoisotopic Mass	272.957 Da
Topological Polar Surface Area	45.800 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	281.000
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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