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

CAS: 3521-06-0 Cat. No.: B153137 분자식: C₂₃H₂₄Cl₂N₂ 분자량: 399.36 EC 번호: 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

동의어

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

사양 및 순도

≥90%

보관 조건

Argon charged,Room temperature

배송

Normal

순수함

≥90%

이름과 식별자

Pubchem Sid

488187408

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

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

PubChem CID

107404

분자량

399.36

Reaxy-Rn

5691952

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 감도: Moisture sensitive
• 분자량: 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

자주 묻는 질문

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.