naphthalen-1-ol

• ChemBase ID: 102982
• Molecular Formular: C10H8O
• Molecular Mass: 144.16992
• Monoisotopic Mass: 144.05751488
• SMILES: Oc1c2ccccc2ccc1
• Canonical SMILES: Oc1cccc2c1cccc2
• InChI: InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
• InChIKey: KJCVRFUGPWSIIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalen-1-ol
• IUPAC Traditional name: naphthol
• Synonyms: 1-Naphthyl Alcohol; C.I. 76605; Durafur Developer D; Fouramine ERN; Fourrine 99; Fourrine ERN; Furro ER; NSC 9586; Nako TRB; Naphthol-1; Naphthyl-1-ol; Tertral ERN; Ursol ERN; Zoba ERN; α-Hydroxynaphthalene; α-Naphthyl Alcohol; 1-Naphthol; 1-Hydroxynaphthalene; α-NAPHTHOL; naphthalen-1-ol; 1-Naphthalenol; alpha-Naphthol; 1-Naphthol; alpha-Naphthol; 1-Naphthol; α-Naphthol; α-萘酚; 1-羟基萘; 1-萘酚

Database IDs

• CAS Number: 90-15-3
• EC Number: 201-969-4
• MDL Number: MFCD00003930
• Beilstein Number: 1817321
• Merck Index: 146383
• PubChem SID: 24861963; 24860063; 24897595; 24886085; 24886084; 162089364; 24897451
• PubChem CID: 7005
• CHEBI ID: 10319
• CHEMBL: 122617
• Chemspider ID: 6739
• KEGG ID: C11714
• Unique Ingredient Identifier: 2A71EAQ389
• Wikipedia Title: 1-Naphthol

CALCULATED PROPERTIES

• Acid pKa: 9.601542
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6591232
• LogD (pH = 7.4): 2.6564522
• Log P: 2.6591573
• Molar Refractivity: 44.4891 cm^3
• Polarizability: 18.54935 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: ethanol: soluble1 M, clear; Soluble in alcohol, benzene, chloroform, ether
• Apperance: Colorless or white solid; commercial material is often strongly colored; pink to brown; white to off-white
• Melting Point: 94-96 °C; 94-96 °C(lit.); 94-97 °C; 95–96 °C; 95-97 °C; 95-97°C; 96 °C; 96°C
• Boiling Point: 278 °C; 288 °C; sublimes; 278°C; 278-280 °C(lit.); 278–280 °C; 278-280°C
• Flash Point: 125 °C; 125°C(257°F); 257 °F
• Auto Ignition Point: 1007 °F
• Density: (solid) 1.224 at 4 °C (water = 1); (liquid) 1.095 at 98.7 °C (water = 1); 1.10 g/cm^3; 1.28
• Vapor Pressure: 1 mm Hg at 94 °C; 1 mmHg ( 94 °C)
• Vapor Density: 4.5 (120 °C, vs air)
• Fluorescence: λex 300 nm; λem 472 nm (Borax buffer); λex 322 nm; λem 468 nm in 0.1 M borate pH 9.0

Safety Information

• Storage Condition: Room Temperature (15-30°C), Protect from light
• Storage Warning: Air & Light Sensitive
• RTECS: QL2800000
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 2811; UN2811
• German water hazard class: 1
• Hazard Class: 6.1
• Packing Group: 3; III
• Australian Hazchem: 2X
• Risk Statements: 21/22-37/38-41; R:21/22-37/38-41
• Safety Statements: 2-22-26-37/39; 22-26-37/39; S:22-26-37/39
• EU Classification: T2
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 154
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• Explode Limits: 5 %
• GHS Hazard statements: H302-H312-H315-H318-H335; H318-H315-H302-H312-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3

Pharmacology Properties

• Gene Information: human ... CYP1A2(1544)

Product Information

• Purity: ≥99%; ≥98%; ≥98.0% (GC); ≥99%; ≥99% (GC); ≥99.0%; ≥99.0% (GC); 98%; 99%
• Grade: for analytical purposes; for fluorescence; PESTANAL®, analytical standard; puriss.; puriss. p.a.; ReagentPlus®; SAJ special grade
• Ignition Residue: ≤0.05%; ≤0.05% (as SO4); ≤0.1%
• Impurities: ≤0.0005% Phosphorus (P); ≤0.001% heavy metals (as Pb); ≤0.1% Insoluble matter; ≤0.2% naphthaline (GC); ≤0.2% water (Karl Fischer); ≤0.5% 2-naphthol (GC)
• Cation Traces: Al: ≤0.0005%; Ca: ≤0.0005%; Cu: ≤0.0005%; Fe: ≤0.0005%; Fe: ≤10 mg/kg; K: ≤0.005%; Mg: ≤0.0005%; Na: ≤0.005%; Pb: ≤0.001%; Zn: ≤0.0005%
• Antion Traces: chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤0.05%
• Clinical: for in vitro diagnostic use
• Linear Formula: C10H7OH

DETAILS

MP Biomedicals - 02150139

Purity: 99+%

Sigma Aldrich - 31097

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

Sigma Aldrich - 70438

Other Notes
Satisfactory substrate for peroxidase in immunoblots1; Agent for inducing oxidant stress in erythrocytes2

Sigma Aldrich - N2780

Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. N2780.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Sigma Aldrich - N1000

包装
10, 100, 500 g in glass bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 70442

Packaging
1 kg in glass bottle
50 g in glass bottle

Sigma Aldrich - 33420

Packaging
bottled under inert gas

Toronto Research Chemicals - N367990

Used in the manufacturing of dyes, intermediates, synthetic perfumes.