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4'-Nitrobenzo-15-crown 5-Ether - ≥99.0%(GC), high purity , CAS No.60835-69-0

COA

Grade & Purity:

≥99%(GC)

Cas Number: 60835-69-0
Molecular Weight: 313.31
Beilstein Registry Number: 1598970
MDL number: MFCD00060713
PubChem CID: 143747
PubChem SID: 504757266

In stock

Item Number

N135861

Grouped product items
SKU	Size	Availability	Price
N135861-250mg	250mg	7	$27.90
N135861-1g	1g	5	$84.90
N135861-5g	5g	4	$380.90
N135861-25g	25g	3	$1,712.90

View related series

Chelate / complex (112) Material synthetic block (276)

Basic Description

Synonyms	A832914 \| SR-01000389982 \| CCG-55711 \| MFCD00060713 \| XIWRBQVYCZCEPG-UHFFFAOYSA-N \| 4'-Nitrobenzo-15-crown-5, 99% \| SCHEMBL1247615 \| (4'-Nitrobenzo)-15-crown-5-Ether \| 1,4,7,10,13-Benzopentaoxacyclopentadecin,2,3,5,6,8,9,11,12-octahydro-15-nitro- \| 4'-Nit
Specifications & Purity	≥99%(GC)
Shipped In	Normal

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	Alkyl aryl ethers Benzenoids Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Dialkyl ethers Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Nitroaromatic compound - Alkyl aryl ether - Benzenoid - Dialkyl ether - Ether - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic 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	504757266
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504757266
IUPAC Name	17-nitro-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
INCHI	InChI=1S/C14H19NO7/c16-15(17)12-1-2-13-14(11-12)22-10-8-20-6-4-18-3-5-19-7-9-21-13/h1-2,11H,3-10H2
InChIKey	XIWRBQVYCZCEPG-UHFFFAOYSA-N
Smiles	C1COCCOC2=C(C=C(C=C2)[N+](=O)[O-])OCCOCCO1
Isomeric SMILES	C1COCCOC2=C(C=C(C=C2)[N+](=O)[O-])OCCOCCO1
WGK Germany	3
Molecular Weight	313.31
Beilstein	1598970
Reaxy-Rn	1598970
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1598970&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
I2419131	Certificate of Analysis	Sep 24, 2024	N135861
H2215191	Certificate of Analysis	May 06, 2024	N135861
H2215190	Certificate of Analysis	May 06, 2024	N135861
H2120337	Certificate of Analysis	Jun 06, 2023	N135861
H2120336	Certificate of Analysis	Jun 06, 2023	N135861
H2120339	Certificate of Analysis	Jun 06, 2023	N135861

Chemical and Physical Properties

Solubility	It is soluble in non-polar solvents.
Melt Point(°C)	93-97 °C
Molecular Weight	313.300 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Exact Mass	313.116 Da
Monoisotopic Mass	313.116 Da
Topological Polar Surface Area	92.000 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	323.000
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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