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2-Chloro-3,5-dinitrobenzotrifluoride - 98%, high purity , CAS No.392-95-0

COA

Grade & Purity:

≥98%

Cas Number: 392-95-0
Molecular Weight: 270.55
Beilstein Registry Number: 5(3)764
EC Number: 206-883-0
MDL number: MFCD00007076
PubChem CID: 67851
PubChem SID: 488184023

In stock

Item Number

C102121

Grouped product items
SKU	Size	Availability	Price
C102121-5g	5g	5	$35.90
C102121-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$105.90
C102121-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$379.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	2-Chloro-1,5-dinitro-3-(trifluoromethyl)benzene \| 2-Chloro-1,5-dinitro-3-(trifluoromethyl)benzene # \| 4-chloro-5-trifluoromethyl-1,3-dinitrobenzene \| AM61946 \| C7H2ClF3N2O4 \| 2-Chloro-3,5-dinitrobenzotrifluoride \| 2-chloro-3,5-dinitro-benzotrifluoride \| D
Specifications & Purity	≥98%
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	Nitrobenzenes Nitroaromatic compounds Chlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - 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 - Alkyl fluoride - Organochloride - Organofluoride - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - 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

Pubchem Sid	488184023
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488184023
IUPAC Name	2-chloro-1,5-dinitro-3-(trifluoromethyl)benzene
INCHI	InChI=1S/C7H2ClF3N2O4/c8-6-4(7(9,10)11)1-3(12(14)15)2-5(6)13(16)17/h1-2H
InChIKey	RLXKADBMLQPLDV-UHFFFAOYSA-N
Smiles	C1=C(C=C(C(=C1C(F)(F)F)Cl)[N+](=O)[O-])[N+](=O)[O-]
Isomeric SMILES	C1=C(C=C(C(=C1C(F)(F)F)Cl)[N+](=O)[O-])[N+](=O)[O-]
WGK Germany	3
RTECS	CZ0525750
UN Number	2923
Molecular Weight	270.55
Beilstein	5(3)764
Reaxy-Rn	2061156
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2061156&ln=

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
C2320558	Certificate of Analysis	Jul 20, 2022	C102121
J1410110	Certificate of Analysis	Jul 20, 2022	C102121

Chemical and Physical Properties

Melt Point(°C)	62-64°C
Molecular Weight	270.550 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Exact Mass	269.966 Da
Monoisotopic Mass	269.966 Da
Topological Polar Surface Area	91.600 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	327.000
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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