Basic Blue 1 - ≥90% , CAS No.3521-06-0

CAS: 3521-06-0 Cat. No.: B153137 分子式: C₂₃H₂₄Cl₂N₂ 分子量: 399.36 EC番号: 222-531-9 PubChem CID: 107404

GRADE & PURITY ≥90%

Synonyms

Calcozine Blue 6G | P0598 | Basic Blue G | EINECS 222-531-9 | Astrazon Blue G | Methylene Turquoise JSA Extra | Sumitomo Basic Cyanine 6G | Acronol Brilliant Blue 6G | AKOS000282962 | C.I. BASIC BLUE 19 | Methanaminium, N-(4-((2-chlorophenyl)(4-(dimethyla

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

同義語

Calcozine Blue 6G | P0598 | Basic Blue G | EINECS 222-531-9 | Astrazon Blue G | Methylene Turquoise JSA Extra | Sumitomo Basic Cyanine 6G | Acronol Brilliant Blue 6G | AKOS000282962 | C.I. BASIC BLUE 19 | Methanaminium, N-(4-((2-chlorophenyl)(4-(dimethyla

仕様と純度

≥90%

保管条件

Argon charged,Room temperature

入荷

Normal

純度

≥90%

名前と識別子

パブケム・シド

488187408

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488187408

カノニカル・スマイル

CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3Cl.[Cl-]

IUPAC Name

[4-[(2-chlorophenyl)-[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;chloride

InChIKey

GRPFBMKYXAYEJM-UHFFFAOYSA-M

INCHI

1S/C23H24ClN2.ClH/c1-25(2)19-13-9-17(10-14-19)23(21-7-5-6-8-22(21)24)18-11-15-20(16-12-18)26(3)4;/h5-16H,1-4H3;1H/q+1;/p-1

異性体SMILES

CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3Cl.[Cl-]

PubChem CID

107404

分子量

399.36

Reaxy-Rn

5691952

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Dialkylarylamines Aniline and substituted anilines Chlorobenzenes Aryl chlorides Secondary ketimines Azomethines Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organochlorides Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Secondary ketimine - Azomethine - Tertiary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

化学的性質と物理的性質

• 感度: Moisture sensitive
• 分子量: 399.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 398.132 Da
• Monoisotopic Mass: 398.132 Da
• Topological Polar Surface Area: 6.300 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 557.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥90% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature 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 3521-06-0, the molecular formula is C23H24Cl2N2, and the molecular weight is 399.36 g/mol. InChIKey GRPFBMKYXAYEJM-UHFFFAOYSA-M.

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.