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Chirabite-AR , CAS No.909254-56-4

COA

Cas Number: 909254-56-4
Molecular Weight: 759.74
PubChem CID: 25112234
PubChem SID: 504769968

In stock

Item Number

C347486

Grouped product items
SKU	Size	Availability	Price
C347486-5mg	5mg	4	$33.90
C347486-25mg	25mg	1	$129.90
C347486-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$399.90

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Six membered carbocyclic compound (243) Spectroscopic reagent (233)

Basic Description

Synonyms	6-Nitro-19,40-dioxa-2,10,16,43,48,49-hexaazaoctacyclo[42.3.1.1~4,8~.1~11,15~.0~20,29~.0~23,28~.0~30,39~.0~31,36~]pentaconta-1(48),4(50),5,7,11(49),12,14,20(29),21,23,25,27,30(39),31,33,35,37,44,46-nonadecaene-3,9,17,42-tetrone (non-preferred name) \| Chira
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Application： Chirabite-AR (CAS# 909254-56-4) is a useful research chemical, catalyzing the ring-opening reaction of epoxides with carbon dioxide. Having several loci for hydrogen bonding, Chirabite-AR is used as a selective detector for anions.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Naphthalenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Naphthalenes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Naphthalenes
Alternative Parents	Nitroaromatic compounds Alkyl aryl ethers Pyridines and derivatives Imidolactams Heteroaromatic compounds Secondary carboxylic acid amides Lactams Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Carbonyl compounds Organic zwitterions Organonitrogen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Naphthalene - Nitroaromatic compound - Alkyl aryl ether - Pyridine - Imidolactam - Heteroaromatic compound - Carboxamide group - Lactam - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Oxacycle - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic salt - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
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	504769968
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504769968
IUPAC Name	6-nitro-19,40-dioxa-2,10,16,43,48,49-hexazaoctacyclo[42.3.1.14,8.111,15.020,29.023,28.030,39.031,36]pentaconta-1(47),4(50),5,7,11,13,15(49),20(29),21,23,25,27,30(39),31,33,35,37,44(48),45-nonadecaene-3,9,17,42-tetrone
INCHI	InChI=1S/C42H29N7O8/c50-37-22-56-31-17-15-24-7-1-3-9-29(24)39(31)40-30-10-4-2-8-25(30)16-18-32(40)57-23-38(51)46-34-12-6-14-36(44-34)48-42(53)27-19-26(20-28(21-27)49(54)55)41(52)47-35-13-5-11-33(43-35)45-37/h1-21H,22-23H2,(H2,43,45,47,50,52)(H2,44,46,48,51,53)
InChIKey	AFQYUGXRHMUXOZ-UHFFFAOYSA-N
Smiles	C1C(=O)NC2=NC(=CC=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)NC4=CC=CC(=N4)NC(=O)COC5=C(C6=CC=CC=C6C=C5)C7=C(O1)C=CC8=CC=CC=C87
Isomeric SMILES	C1C(=O)NC2=NC(=CC=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)NC4=CC=CC(=N4)NC(=O)COC5=C(C6=CC=CC=C6C=C5)C7=C(O1)C=CC8=CC=CC=C87
PubChem CID	25112234
Molecular Weight	759.74

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

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Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
C2518277	Certificate of Analysis	Aug 31, 2022	C347486
L2205122	Certificate of Analysis	Aug 31, 2022	C347486
L2205135	Certificate of Analysis	Aug 31, 2022	C347486
J2226661	Certificate of Analysis	Aug 31, 2022	C347486
J2226662	Certificate of Analysis	Aug 31, 2022	C347486
C2518278	Certificate of Analysis	Aug 31, 2022	C347486

Chemical and Physical Properties

Sensitivity	Heat sensitive
Molecular Weight	759.700 g/mol
XLogP3	6.600
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	0
Exact Mass	759.208 Da
Monoisotopic Mass	759.208 Da
Topological Polar Surface Area	206.000 Å²
Heavy Atom Count	57
Formal Charge	0
Complexity	1370.000
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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