2-Naphthoxyacetic acid - for synthesis , CAS No.120-23-0

CAS: 120-23-0 Cat. No.: N431550 Formula: C₁₂H₁₀O₃ Peso molecolare: 202.21 Beilstein Registry Number: 1074148 Numero EC: 204-380-0

GRADE & PURITY for Synthesis

Synonyms

2-Napthyloxyacetic acid | 717GVR334R | NCGC00166229-01 | (beta-Naphthyloxy)acetic acid | BRN 1074148 | NCGC00255805-01 | .beta.-Naphthyloxyacetic acid | BNOA, beta-naphthoxyacetic acid | (b-Naphthyloxy)acetic acid | NOXA (NAPHTHYLOXYACETIC ACID) | DTXCID0

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

2-Napthyloxyacetic acid | 717GVR334R | NCGC00166229-01 | (beta-Naphthyloxy)acetic acid | BRN 1074148 | NCGC00255805-01 | .beta.-Naphthyloxyacetic acid | BNOA, beta-naphthoxyacetic acid | (b-Naphthyloxy)acetic acid | NOXA (NAPHTHYLOXYACETIC ACID) | DTXCID0

Specifiche e purezza

for synthesis

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Grado

per la sintesi

Nomi e identificatori

Sorrisi canonici

C1=CC=C2C=C(C=CC2=C1)OCC(=O)O

IUPAC Name

2-naphthalen-2-yloxyacetic acid

InChIKey

RZCJYMOBWVJQGV-UHFFFAOYSA-N

INCHI

1S/C12H10O3/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,13,14)

Isomeri SMILES

C1=CC=C2C=C(C=CC2=C1)OCC(=O)O

WGK Germania

3

RTECS

AI9659000

Peso molecolare

202.21

Beilstein

1074148

Reaxy-Rn

1074148

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1074148&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenoxyacetic acid derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenoxyacetic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxyacetic acid derivatives
• Alternative Parents: Naphthalenes Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Phenoxyacetate - Naphthalene - Alkyl aryl ether - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
• External Descriptors: Auxins

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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 151-154°C
• Peso molecolare: 202.210 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 202.063 Da
• Monoisotopic Mass: 202.063 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 227.000
• 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

Domande frequenti

What does for synthesis mean?

for synthesis indicates that the material has been processed and tested for specialty industrial processing. Specifications focus on the impurities that affect performance in that application — for example, metal content for electronics, particle size for batteries, refractive index for optics, or moisture content for moisture-sensitive processes.

How should this product be stored?

Store at room temperature.

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 120-23-0, the molecular formula is C12H10O3, and the molecular weight is 202.21 g/mol. InChIKey RZCJYMOBWVJQGV-UHFFFAOYSA-N.

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.