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Isoviolanthrone , CAS No.128-64-3

Isoviolanthrone , CAS No.128-64-3

Name: Isoviolanthrone , CAS No.128-64-3
Brand: Aladdin Scientific
SKU: I340873
Availability: InStock

CAS: 128-64-3 Cat. No.: I340873 Formula: C₃₄H₁₆O₂ Molecular Weight: 456.5

COA

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Isoviolanthrone - CAS No(128-64-3) by Aladdin Scientific

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AVAILABLE TO ORDER

Synonyms

Storage

Room temperature

Shipped In

Normal

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Certificates (CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal 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.

Specifications

Synonyms

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

Pubchem Sid

528771794

Canonical Smiles

C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C6=CC=C7C8=C(C=CC5=C68)C9=CC=CC=C9C7=O)C2=O

IUPAC Name

nonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1(30),2,4,6,8,10,13,15,17(31),18,20(32),21,23,25,28,33-hexadecaene-12,27-dione

InChIKey

BSIHWSXXPBAGTC-UHFFFAOYSA-N

INCHI

1S/C34H16O2/c35-33-25-7-3-1-5-17(25)19-9-11-21-24-14-16-28-32-20(18-6-2-4-8-26(18)34(28)36)10-12-22(30(24)32)23-13-15-27(33)31(19)29(21)23/h1-16H

Isomeric SMILES

C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C6=CC=C7C8=C(C=CC5=C68)C9=CC=CC=C9C7=O)C2=O

Molecular Weight

456.5

Reaxy-Rn

2066925

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2066925&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

<<<<<<< HEAD Download SDS → ======= Download SDS → >>>>>>> release248-p3

✅ Certificate of Analysis (COA)

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

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Pyrenes
    - Subclass Benzopyrenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Pyrenes
Subclass	Benzopyrenes
Intermediate Tree Nodes	Not available
Direct Parent	Benzopyrenes
Alternative Parents	Chrysenes Anthracenes Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Benzo-a-pyrene - Chrysene - Phenanthrene - Anthracene - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzopyrenes. These are organic compounds containing a benzene fused to a pyrene(benzo[def]phenanthrene) ring system.
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

3D Structure

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.

2 results found

Lot Number	Certificate Type	Date	Item
K2406499	Certificate of Analysis	May 20, 2024	I340873
K2413317	Certificate of Analysis	May 20, 2024	I340873

Chemical and Physical Properties

Molecular Weight	456.500 g/mol
XLogP3	8.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	456.115 Da
Monoisotopic Mass	456.115 Da
Topological Polar Surface Area	34.100 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	877.000
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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