4-(4-Dimethylaminophenylazo)phenylarsonic Acid Hydrochloride - ≥95%(T) , CAS No.73688-85-4

CAS: 73688-85-4 Cat. No.: D155110 Molecular Weight: 385.68 Beilstein Registry Number: 16885 EC Number: 620-678-7 PubChem CID: 3056312

GRADE & PURITY ≥95%(T)

Synonyms

(4-{2-[4-(dimethylamino)phenyl]diazen-1-yl}phenyl)arsonic acid hydrochloride | [4-[[4-(DIMETHYLAMINO)PHENYL]AZO]PHENYL]ARSONIC ACID, MONOHYDROCHLORIDE | 4BTC9M3QZ7 | Benzenearsonic acid, hydrochloride | 4-(4-Dimethylaminophenylazo)benzenearsonic Acid Hydr

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

(4-{2-[4-(dimethylamino)phenyl]diazen-1-yl}phenyl)arsonic acid hydrochloride | [4-[[4-(DIMETHYLAMINO)PHENYL]AZO]PHENYL]ARSONIC ACID, MONOHYDROCHLORIDE | 4BTC9M3QZ7 | Benzenearsonic acid, hydrochloride | 4-(4-Dimethylaminophenylazo)benzenearsonic Acid Hydr

Specifications & Purity

≥95%(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥95%(T)

Names and Identifiers

• Canonical Smiles: CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[As](=O)(O)O.Cl
• IUPAC Name: [4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]arsonic acid;hydrochloride
• InChIKey: PVYGBUNBLMIFRV-UHFFFAOYSA-N
• INCHI: 1S/C14H16AsN3O3.ClH/c1-18(2)14-9-7-13(8-10-14)17-16-12-5-3-11(4-6-12)15(19,20)21;/h3-10H,1-2H3,(H2,19,20,21);1H
• Isomeric SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[As](=O)(O)O.Cl
• RTECS: CY4800000
• PubChem CID: 3056312
• Molecular Weight: 385.68
• Beilstein: 16885

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azobenzenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azobenzenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azobenzenes
• Alternative Parents: Dialkylarylamines Aniline and substituted anilines Pentaorganoarsanes Azo compounds Propargyl-type 1,3-dipolar organic compounds Oxygen-containing organoarsenic compounds Organic metalloid salts Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Azobenzene - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Monocyclic benzene moiety - Pentaorganoarsane - Benzenoid - Azo compound - Tertiary amine - Oxygen-containing organoarsenic compound - Organic metalloid salt - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Amine - Organic oxide - Organonitrogen compound - Organoarsenic compound - Organic metalloid moeity - Organic nitrogen compound - Organic oxygen compound - Hydrochloride - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as azobenzenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to a benzene 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

• Molecular Weight: 385.680 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 385.017 Da
• Monoisotopic Mass: 385.017 Da
• Topological Polar Surface Area: 85.500 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 394.000
• 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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