Indanthrone - ≥90%(N) , CAS No.81-77-6

CAS: 81-77-6 Cat. No.: I401341 분자식: C₂₈H₁₄N₂O₄ 분자량: 442.43 EC 번호: 201-375-5

등급 & 순도 ≥90%(N)

Synonyms

Indanthrone|Indanthrene|81-77-6|Vat blue 4|Medium Blue|Anthraquinone Blue|Indanthren Blue|Carbanthrene Blue RS|Indanthrene Blue|Palanthrene Blue GPT|Lutetia Fast Blue RS|Caledon Blue RN|Ponsol RP|Ponsol Blue GZ|C.I. Vat Blue 4|Celliton Blue RN|Graphtol Bl

Storage

Room temperature

Shipped In

Normal

사양

동의어

Indanthrone | Indanthrene | 81-77-6 | Vat blue 4 | Medium Blue | Anthraquinone Blue | Indanthren Blue | Carbanthrene Blue RS | Indanthrene Blue | Palanthrene Blue GPT | Lutetia Fast Blue RS | Caledon Blue RN | Ponsol RP | Ponsol Blue GZ | C.I. Vat Blue 4 | Celliton Blue RN | Graphtol Bl

사양 및 순도

≥90%(N)

보관 조건

Room temperature

배송

Normal

순수함

≥90%(N)

이름과 식별자

Pubchem Sid

488180131

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180131

정식 스마일

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)NC5=C(N4)C=CC6=C5C(=O)C7=CC=CC=C7C6=O

IUPAC Name

2,17-diazaheptacyclo[16.12.0.03,16.04,13.06,11.019,28.021,26]triaconta-1(18),3(16),4(13),6,8,10,14,19(28),21,23,25,29-dodecaene-5,12,20,27-tetrone

InChIKey

UHOKSCJSTAHBSO-UHFFFAOYSA-N

INCHI

1S/C28H14N2O4/c31-25-13-5-1-3-7-15(13)27(33)21-17(25)9-11-19-23(21)29-20-12-10-18-22(24(20)30-19)28(34)16-8-4-2-6-14(16)26(18)32/h1-12,29-30H

이성체 SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)NC5=C(N4)C=CC6=C5C(=O)C7=CC=CC=C7C6=O

RTECS

CB8761100

분자량

442.43

Reaxy-Rn

367131

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=367131&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Diazanaphthalenes
      • Subclass Benzodiazines
        • Level5 Quinoxalines
          • Level6 Phenazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Quinoxalines
• Direct Parent: Phenazines and derivatives
• Alternative Parents: Anthracenes Pyrazines Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenazine - Anthracene - Benzenoid - Pyrazine - Heteroaromatic compound - Vinylogous amide - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenazines and derivatives. These are polycyclic aromatic compounds containing a phenazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a pyrazine ring.
• External Descriptors: Not available

Data sources

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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 442.400 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 442.095 Da
• Monoisotopic Mass: 442.095 Da
• Topological Polar Surface Area: 92.300 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 857.000
• 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

자주 묻는 질문

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 81-77-6, the molecular formula is C28H14N2O4, and the molecular weight is 442.43 g/mol. InChIKey UHOKSCJSTAHBSO-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.