2-(naphthalen-2-yloxy)acetic acid

• ChemBase ID: 21691
• Molecular Formular: C12H10O3
• Molecular Mass: 202.206
• Monoisotopic Mass: 202.06299418
• SMILES: C(=O)(COc1cc2c(cc1)cccc2)O
• Canonical SMILES: OC(=O)COc1ccc2c(c1)cccc2
• InChI: 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)
• InChIKey: RZCJYMOBWVJQGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-2-yloxy)acetic acid
• IUPAC Traditional name: NOXA
• Synonyms: 2-(Naphthalen-2-yloxy)acetic acid; β-NAPHTHOXYACETIC ACID; BNOA; 2-Naphthoxyacetic acid; 2-(2-Naphthyloxy)acetic acid; 2-萘氧基乙酸

Database IDs

• CAS Number: 120-23-0
• EC Number: 204-380-0
• MDL Number: MFCD00004066
• Beilstein Number: 1074148
• Merck Index: 146397
• PubChem SID: 160984998; 24860840; 24897644; 24897616
• PubChem CID: 8422

CALCULATED PROPERTIES

• Acid pKa: 3.9985783
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7721878
• LogD (pH = 7.4): -0.8768503
• Log P: 2.2830346
• Molar Refractivity: 55.056 cm^3
• Polarizability: 22.700207 Å^3
• Polar Surface Area: 46.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: white to gray crystalline
• Melting Point: 151-154 °C; 151-154 °C(lit.); 155-157°C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: IRRITANT
• RTECS: AI9659000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38; R:22
• Safety Statements: 26-36; 26-36/37; S:36/37/39
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥90% (T); 97%; 98%
• Grade: PESTANAL®, analytical standard; technical
• Suitability: plant cell culture tested
• Linear Formula: C10H7OCH2CO2H

DETAILS

MP Biomedicals - 02155789

Free Acid Gray crystals.

Sigma Aldrich - N3019

Application
β-Naphthoxyacetic acid (BNOA) is a phytohormone used as a plant growth regulator on tomatoes and strawberries.

Sigma Aldrich - N3405

Packaging
25, 100, 500 g in glass bottle

Sigma Aldrich - 34066

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH