Naphthol AS-BI phosphate - ≥93% , CAS No.1919-91-1

CAS: 1919-91-1 Cat. No.: N131822 Molecular Weight: 452.19 Beilstein Registry Number: 6668526 EC Number: 217-645-0

GRADE & PURITY ≥93%

Synonyms

6-Bromo-3-[(2-methoxyanilino)carbonyl]-2-naphthyl dihydrogen phosphate # | 7-Bromo-3-hydroxy-2-naphthoic-o-anisidide phosphate | Naphthol aS-bl phosphate | Naphthol AS-BI-phosphate | Naphthol aS bi phosphate | SCHEMBL11979379 | AS-72873 | DTXSID4062062 |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Substrate for the histochemical demonstration of acid and alkaline phosphatase. Substrate for the fluorometric assay of acid and alkaline phosphatases. Demonstration of acid phosphatase in paraffin embedded tissue。 Cytofluorometric assay of acid phosphatase in single living cells.

Product description：

Naphthol AS-BI, also known as 7-Bromo-3-hydroxy-2-naphtho-o-anisidine is a substituted naphthol.

Specifications

Synonyms

6-Bromo-3-[(2-methoxyanilino)carbonyl]-2-naphthyl dihydrogen phosphate # | 7-Bromo-3-hydroxy-2-naphthoic-o-anisidide phosphate | Naphthol aS-bl phosphate | Naphthol AS-BI-phosphate | Naphthol aS bi phosphate | SCHEMBL11979379 | AS-72873 | DTXSID4062062 |

Specifications & Purity

≥93%

Biochemical and Physiological Mechanisms

Naphthol AS-BI can be used as a substrate to determine alkaline and acid phosphatase. It is also used to determine the activity of acid phosphatase in single cells.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥93%

Names and Identifiers

• Canonical Smiles: COC1=CC=CC=C1NC(=O)C2=C(C=C3C=CC(=CC3=C2)Br)OP(=O)(O)O
• IUPAC Name: [6-bromo-3-[(2-methoxyphenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphate
• InChIKey: HUXIAXQSTATULQ-UHFFFAOYSA-N
• INCHI: 1S/C18H15BrNO6P/c1-25-16-5-3-2-4-15(16)20-18(21)14-9-12-8-13(19)7-6-11(12)10-17(14)26-27(22,23)24/h2-10H,1H3,(H,20,21)(H2,22,23,24)
• Isomeric SMILES: COC1=CC=CC=C1NC(=O)C2=C(C=C3C=CC(=CC3=C2)Br)OP(=O)(O)O
• WGK Germany: 3
• Molecular Weight: 452.19
• Beilstein: 6668526
• Reaxy-Rn: 6668526
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6668526&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass Naphthalenecarboxylic acids and derivatives
        • Level5 Naphthalenecarboxamides
          • Level6 Naphthalene-2-carboxanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Naphthalenecarboxylic acids and derivatives
• Intermediate Tree Nodes: Naphthalenecarboxamides
• Direct Parent: Naphthalene-2-carboxanilides
• Alternative Parents: Aromatic anilides Aryl phosphomonoesters Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Aryl bromides Secondary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene-2-carboxanilide - Aromatic anilide - Aryl phosphate - Aryl phosphomonoester - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Organic phosphoric acid derivative - Aryl bromide - Monocyclic benzene moiety - Aryl halide - Phosphoric acid ester - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organobromide - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalene-2-carboxanilides. These are naphthalene-2-carboxamides, where the carboxamide group is substituted with an aniline.
• 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

• Solubility: methanol: 50 mg/mL
• Molecular Weight: 452.200 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 450.982 Da
• Monoisotopic Mass: 450.982 Da
• Topological Polar Surface Area: 105.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 572.000
• 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: 1