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

CAS: 909254-56-4 Cat. No.: C347486 Fórmula: C42H29N7O8 Peso molecular: 759.74 PubChem CID: 25112234
Disponível para encomenda
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
Store at 2-8°C
Shipped In
Wet ice
★
Size
Alemanha (EU)
USA*
Price
Qty
5mg
C347486-5mg
—
4 Em stock
48,51€
25mg
C347486-25mg
—
1 Em stock
129,21€
100mg
C347486-100mg
Sob encomenda · 8–12 semanas
509,28€
Enter a quantity for the sizes you want to add.
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Visão geral

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.

Specifications

Sinónimos
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
Condições de armazenamento de armazenamento
Store at 2-8°C
Enviado em
Wet ice
Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.
Nomes e identificadores
Pubchem Sid504769968
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504769968
Sorrisos canónicosC1C(=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
IUPAC Name6-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
InChIKeyAFQYUGXRHMUXOZ-UHFFFAOYSA-N
INCHI1S/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)
SMILES isoméricas 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
Peso molecular 759.74

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClasseNaphthalenes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentNaphthalenes
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 FrameworkAromatic 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
DescriçãoThis 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
Estrutura 3D
Modelo de Estrutura Química Interativa





Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
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.

6 results found

Lot NumberCertificate TypeDataItem
L2205135Certificate of AnalysisSep 16, 2025 C347486
L2205122Certificate of AnalysisSep 16, 2025 C347486
J2226662Certificate of AnalysisAug 15, 2025 C347486
J2226661Certificate of AnalysisAug 15, 2025 C347486
C2518277Certificate of AnalysisAug 31, 2022 C347486
C2518278Certificate of AnalysisAug 31, 2022 C347486
Propriedades químicas e físicas
SensibilidadeHeat sensitive
Peso molecular759.700 g/mol
XLogP36.600
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count0
Exact Mass759.208 Da
Monoisotopic Mass759.208 Da
Topological Polar Surface Area206.000 Ų
Heavy Atom Count57
Formal Charge0
Complexity1370.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluções
Revisões

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