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2-Bromo-5-nitro-3-(trifluoromethyl)pyridine - 98%, high purity , CAS No.956104-42-0

COA

Grade & Purity:

≥98%

Cas Number: 956104-42-0
Molecular Weight: 270.99
PubChem CID: 53486350
PubChem SID: 504771276

In stock

Item Number

B196073

Grouped product items
SKU	Size	Availability	Price
B196073-250mg	250mg	2	$31.90
B196073-1g	1g	2	$68.90
B196073-5g	5g	3	$193.90
B196073-25g	25g	2	$832.90

Basic Description

Synonyms	2-Bromo-5-nitro-3-(trifluoromethyl)pyridine \| 956104-42-0 \| MFCD17169962 \| SCHEMBL909398 \| DTXSID20704891 \| BCP13547 \| AKOS015919553 \| CS-W008873 \| DS-1652 \| AC-22849 \| SY067382 \| FT-0687553 \| A24664
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic 1,3-dipolar compounds
  - Class Allyl-type 1,3-dipolar organic compounds
    - Subclass Organic nitro compounds
      - Level5 C-nitro compounds
        Level6 Nitroaromatic compounds

Kingdom	Organic compounds
Superclass	Organic 1,3-dipolar compounds
Class	Allyl-type 1,3-dipolar organic compounds
Subclass	Organic nitro compounds
Intermediate Tree Nodes	C-nitro compounds
Direct Parent	Nitroaromatic compounds
Alternative Parents	2-halopyridines Aryl bromides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organobromides Organic salts Organic oxides Hydrocarbon derivatives Alkyl fluorides Organic cations
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Nitroaromatic compound - 2-halopyridine - Aryl bromide - Aryl halide - Pyridine - Heteroaromatic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic salt - Alkyl halide - Organopnictogen compound - Organonitrogen compound - Organofluoride - Organobromide - Alkyl fluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic 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	504771276
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504771276
IUPAC Name	2-bromo-5-nitro-3-(trifluoromethyl)pyridine
INCHI	InChI=1S/C6H2BrF3N2O2/c7-5-4(6(8,9)10)1-3(2-11-5)12(13)14/h1-2H
InChIKey	WHTGDIMWBUVWJS-UHFFFAOYSA-N
Smiles	C1=C(C=NC(=C1C(F)(F)F)Br)[N+](=O)[O-]
Isomeric SMILES	C1=C(C=NC(=C1C(F)(F)F)Br)[N+](=O)[O-]
Molecular Weight	270.99
Reaxy-Rn	29639309
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29639309&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.

5 results found

Lot Number	Certificate Type	Date	Item
E2409047	Certificate of Analysis	Jan 08, 2024	B196073
C2228188	Certificate of Analysis	Jan 08, 2024	B196073
C2228177	Certificate of Analysis	Jan 08, 2024	B196073
L2015292	Certificate of Analysis	Oct 17, 2022	B196073
L2015290	Certificate of Analysis	Oct 17, 2022	B196073

Chemical and Physical Properties

Molecular Weight	270.990 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	269.925 Da
Monoisotopic Mass	269.925 Da
Topological Polar Surface Area	58.700 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	230.000
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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