Celestine blue - Dye content 80 % , CAS No.1562-90-9

CAS: 1562-90-9 Cat. No.: C106040 Formula: C₁₇H₁₈ClN₃O₄ Molecular Weight: 363.80 Beilstein Registry Number: 3830911 EC Number: 216-346-2 PubChem CID: 135403650

GRADE & PURITY Dye content 80 %

Synonyms

C.I.51050 | cis-13-Docosenoate | CELESTINEBLUE | COM-998 | EN300-123998 | MFCD00011927 | MS-30934 | T83565QF0P | 7-(diethylylidene)-3,4-dihydroxyphenoxazinecarboxamide, chloride | C.I. 51050 | Celestin blue B | CELESTINE BLUE | Celestine blue, Dye content

Storage

Protected from light,Argon charged

Shipped In

Normal

Specifications

Synonyms

C.I.51050 | cis-13-Docosenoate | CELESTINEBLUE | COM-998 | EN300-123998 | MFCD00011927 | MS-30934 | T83565QF0P | 7-(diethylylidene)-3,4-dihydroxyphenoxazinecarboxamide, chloride | C.I. 51050 | Celestin blue B | CELESTINE BLUE | Celestine blue, Dye content

Specifications & Purity

Dye content 80 %

Biochemical and Physiological Mechanisms

Celestine blue (CB) is an oxazine dye and is used in combination with the alum hematoxylin, as a nuclear stain. It gives good nuclear definition and is resistant to strong acid dyes. Celestine blue is commonly used for routine staining of fixed sections.I

Storage

Protected from light,Argon charged

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 488202841
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202841
• Canonical Smiles: CCN(CC)C1=CC2=C(C=C1)NC3=C(O2)C(=O)C(=O)C=C3C(=O)[NH3+].[Cl-]
• IUPAC Name: [7-(diethylamino)-3,4-dioxo-10H-phenoxazine-1-carbonyl]azanium;chloride
• InChIKey: REPMZEQSQQAHJR-UHFFFAOYSA-N
• INCHI: 1S/C17H17N3O4.ClH/c1-3-20(4-2)9-5-6-11-13(7-9)24-16-14(19-11)10(17(18)23)8-12(21)15(16)22;/h5-8,19H,3-4H2,1-2H3,(H2,18,23);1H
• Isomeric SMILES: CCN(CC)C1=CC2=C(C=C1)NC3=C(O2)C(=O)C(=O)C=C3C(=O)[NH3+].[Cl-]
• WGK Germany: 3
• PubChem CID: 135403650
• Molecular Weight: 363.80
• Beilstein: 3830911

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzoxazines
      • Subclass Phenoxazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzoxazines
• Subclass: Phenoxazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxazines
• Alternative Parents: Dialkylarylamines Benzenoids Vinylogous amides Heteroaromatic compounds Cyclic ketones Oxacyclic compounds Carboximidic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenoxazine - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Cyclic ketone - Tertiary amine - Oxacycle - Azacycle - Carboximidic acid derivative - Carboximidic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenoxazines. These are polycyclic aromatic compounds containing a phenoxazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a 1,4-oxazine 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

Chemical and Physical Properties

• Solubility: Soluble in water (miscible).
• Sensitivity: Light sensitive；Moisture sensitive
• Melt Point(°C): 227-230°C
• Molecular Weight: 363.800 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 363.099 Da
• Monoisotopic Mass: 363.099 Da
• Topological Polar Surface Area: 103.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 648.000
• 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: 2

XLogP3

Frequently Asked Questions

How should this product be stored?

Store protected from light under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 1562-90-9, the molecular formula is C17H18ClN3O4, and the molecular weight is 363.80 g/mol. InChIKey REPMZEQSQQAHJR-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.