Cresyl Violet perchlorate - ≥96% , CAS No.41830-80-2

CAS: 41830-80-2 Cat. No.: C336239 Formula: C₁₆H₁₁N₃O·HClO₄ Molecular Weight: 361.74 EC Number: 255-561-6 PubChem CID: 148425

GRADE & PURITY ≥96%

Synonyms

Cresyl violet 670 perchlorate | EINECS 255-561-6 | CCRIS 4971 | FT-0639739 | 5,9-diaminobenzo[a]phenoxazin-7-ium perchlorate | (9-aminobenzo[a]phenoxazin-5-ylidene)azanium;perchlorate | HY-101889 | Benzo(a)phenoxazin-7-ium, 5,9-diamino-, perchlorate | Q27

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Application

741

Overview

Cresyl Violet perchlorate, also known as oxazine 9, is a laser dye. Cresyl violet is a small diaminobenzooxazine with a moderately sized planar conjugated system.

Application：

Among its many applications, Cresyl Violet can be used to stain for Nissl substance and nuclei in nervous tissue and the identification of Helicobacter. Cresyl Violet perchlorate has been used to make cresyl violet perchlorate-polymer composite thin films. It also has been used as a fluorescence standard.

Specifications

Synonyms

Cresyl violet 670 perchlorate | EINECS 255-561-6 | CCRIS 4971 | FT-0639739 | 5,9-diaminobenzo[a]phenoxazin-7-ium perchlorate | (9-aminobenzo[a]phenoxazin-5-ylidene)azanium;perchlorate | HY-101889 | Benzo(a)phenoxazin-7-ium, 5,9-diamino-, perchlorate | Q27

Specifications & Purity

≥96%

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Purity

≥96%

Names and Identifiers

Pubchem Sid

504757323

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757323

Canonical Smiles

C1=CC=C2C(=C1)C(=[NH2+])C=C3C2=NC4=C(O3)C=C(C=C4)N.[O-]Cl(=O)(=O)=O

IUPAC Name

(9-aminobenzo[a]phenoxazin-5-ylidene)azanium;perchlorate

InChIKey

HLHUTAPXZITNPJ-UHFFFAOYSA-N

INCHI

1S/C16H11N3O.ClHO4/c17-9-5-6-13-14(7-9)20-15-8-12(18)10-3-1-2-4-11(10)16(15)19-13;2-1(3,4)5/h1-8,18H,17H2;(H,2,3,4,5)

Isomeric SMILES

C1=CC=C2C(=C1)C(=[NH2+])C=C3C2=NC4=C(O3)C=C(C=C4)N.[O-]Cl(=O)(=O)=O

PubChem CID

148425

Molecular Weight

361.74

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: Naphthalenes Organic perchlorates Organic perchlorate salts Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenoxazine - Naphthalene - Organic perchlorate - Benzenoid - Organic perchlorate salt - Heteroaromatic compound - Organic chlorate - Oxacycle - Azacycle - Amine - Organic salt - Hydrocarbon derivative - Primary amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - 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

• Sensitivity: Hygroscopic；light sensitive
• Molecular Weight: 361.730 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 361.047 Da
• Monoisotopic Mass: 361.047 Da
• Topological Polar Surface Area: 147.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 592.000
• 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

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