Lake Red CBA , CAS No.5160-02-1

CAS: 5160-02-1 Cat. No.: L303862 Formule: C₃₄H₂₄BaCl₂N₄O₈S₂ Poids moléculaire: 888.93 Numéro CE: 225-935-3

Synonyms

Lake Red CCT | UNII-1FO1ZO92Y1 | barium(2+);5-chloro-2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylbenzenesulfonate | Sumikaprint Red C-O | Astro Orange | Benzenesulfonic acid, 5-chloro-2-((2-hydroxy-1-naphthalenyl)azo)-4-methyl-, barium salt(2:1) | Bron

Storage

Room temperature,Desiccated

Shipped In

Normal

Vue d’ensemble

Product Application:

Recommended for Offset Inks；

Suggested for Water Based Inks, PVC.

Specifications

Synonymes

Lake Red CCT | UNII-1FO1ZO92Y1 | barium(2+);5-chloro-2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylbenzenesulfonate | Sumikaprint Red C-O | Astro Orange | Benzenesulfonic acid, 5-chloro-2-((2-hydroxy-1-naphthalenyl)azo)-4-methyl-, barium salt(2:1) | Bron

Conditions de stockage de stockage

Room temperature,Desiccated

Expédié en

Normal

Noms et identifiants

Sourires canoniques

CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])N=NC2=C(C=CC3=CC=CC=C32)O.CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])N=NC2=C(C=CC3=CC=CC=C32)O.[Ba+2]

IUPAC Name

barium(2+);5-chloro-2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylbenzenesulfonate

InChIKey

POJOORKDYOPQLS-UHFFFAOYSA-L

INCHI

1S/2C17H13ClN2O4S.Ba/c2*1-10-8-14(16(9-13(10)18)25(22,23)24)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21;/h2*2-9,21H,1H3,(H,22,23,24);/q;;+2/p-2

Isomères SMILES

CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])N=NC2=C(C=CC3=CC=CC=C32)O.CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])N=NC2=C(C=CC3=CC=CC=C32)O.[Ba+2]

Poids moléculaire

888.93

Reaxy-Rn

8178033

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8178033&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes
      • Subclass Naphthols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Naphthols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthols and derivatives
• Alternative Parents: p-Methylbenzenesulfonates 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Toluenes 1-hydroxy-2-unsubstituted benzenoids Chlorobenzenes Aryl chlorides Sulfonyls Organosulfonic acids Azo compounds Organic metal halides Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds Organic oxides Organochlorides
• Molecular Framework: Not available
• Substituents: 2-naphthol - P-methylbenzenesulfonate - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Organic metal halide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organopnictogen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position.
• 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

Propriétés chimiques et physiques

• Solubilité: Slightly soluble in water; Slightly soluble in Ethanol; Insoluble in Benzene,Acetone
• Sensibilité: Moisture sensitive
• Poids moléculaire: 888.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 4
• Exact Mass: 887.947 Da
• Monoisotopic Mass: 887.947 Da
• Topological Polar Surface Area: 221.000 Ų
• Heavy Atom Count: 51
• Formal Charge: 0
• Complexity: 581.000
• 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: 3

XLogP3