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trans-di(nitrobenzo)-18-crown-6 - ≥90%, high purity , CAS No.32082-45-4

COA

Grade & Purity:

≥90%

Cas Number: 32082-45-4
Molecular Weight: 450.40
PubChem CID: 360968

In stock

Item Number

T768647

Grouped product items
SKU	Size	Availability	Price
T768647-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$110.90
T768647-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$381.90
T768647-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$686.90

Basic Description

Specifications & Purity	≥90%
Storage Temp	Store at 2-8°C,Desiccated
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	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

INCHI	InChI=1S/C20H22N2O10/c23-21(24)15-1-3-17-19(13-15)31-11-7-28-6-10-30-18-4-2-16(22(25)26)14-20(18)32-12-8-27-5-9-29-17/h1-4,13-14H,5-12H2
InChIKey	JLRXOTNWTNNRCW-UHFFFAOYSA-N
Smiles	C1COC2=C(C=C(C=C2)[N+](=O)[O-])OCCOCCOC3=C(C=C(C=C3)[N+](=O)[O-])OCCO1
Isomeric SMILES	C1COC2=C(C=C(C=C2)[N+](=O)[O-])OCCOCCOC3=C(C=C(C=C3)[N+](=O)[O-])OCCO1
Molecular Weight	450.40

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	450.400 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	0
Exact Mass	450.127 Da
Monoisotopic Mass	450.127 Da
Topological Polar Surface Area	147.000 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	534.000
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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