1'-Hydroxy-2'-acetonaphthone (HCID 69733)

Overview

a fluorescent proton transfer probe; structure in first source

Names & identifiers

Preferred name: 1'-Hydroxy-2'-acetonaphthone
IUPAC: 1-(1-hydroxynaphthalen-2-yl)ethanone
English name: 1'-Hydroxy-2'-acetonaphthone
Molecular formula: C12H10O2
Molecular weight: 186.21

Names & synonyms

1'-Hydroxy-2'-acetonaphthoneRefChem:433111711-79-52-Acetyl-1-naphthol1-(1-hydroxynaphthalen-2-yl)ethanone1-Hydroxy-2-acetylnaphthalene1-(1-hydroxynaphthalen-2-yl)ethan-1-one1-Hydroxy-2-acetonaphthone2-Acetyl-1-hydroxynaphthaleneMFCD000039631-(1-Hydroxy-2-naphthyl)ethanone1-(1-Hydroxy-naphthalen-2-yl)-ethanone

Show more names

TIMTEC-BB SBB010063RARECHEM BW GA 0421LABOTEST-BB LT000685572-Acetyl-1-naphthol 99%2-Acetyl-1-naphthol,99%ASINEX-REAG BAS 07629298Ethanone, 1-(1-Hydroxy-2-

Ethanone, 1-(1-hydroxy-2-naphthalenyl)-2'-Acetonaphthone, 1'-hydroxy-1-Hydroxy-2-naphthyl methyl ketone2-Aceto-1-naphthol3',4'-Benzo-2'-hydroxyacetophenone1-(1-Hydroxy-2-naphthalenyl)ethanoneNSC 4973N3BKY69086

Database identifiers

CAS: 711-79-5
PubChem CID: 69733
DTXSID: DTXSID4061044
ChEMBL: CHEMBL569194
UNII: N3BKY69086
EC Number: 211-918-8
Nikkaji: J1.557.078D、J79.921A

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 224

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Melting point: 98 · 98-100 °C(lit.)
Boiling point: 280.69 °C · 280.69°C (rough estimate)
Density: 1.1032 · 1.1032 (rough estimate)
refractive index: 1.6086 · 1.6086 (estimate)
storage temp.: 2 · 2-8°C, stored under nitrogen
form: Crystalline Powder
pka: 1 · pK1: 13.40 (30°C)
color: Yellow
Water Solubility: Insoluble in water.
BRN: 1868084 · 1868084
InChI: InChI=1S/C12H10O2/c1-8(13)10-7-6-9-4-2-3-5-11(9)12(10)14/h2-7,14H,1H3
InChIKey: JBGJVMVWYWUVOW-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C2C(=C1O)C=CC=C2)C
FDA UNII: 3 BKY69086 · N3BKY69086
EPA Substance Registry System: 1 · Ethanone, 1-(1-hydroxy-2-naphthalenyl)- (711-79-5)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 29145000 · 29145000
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
hs_code: 29145000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanone, 1-(1-hydroxy-2-naphthalenyl)-: INACTIVE

Applications

Uses2-acetyl-1-naphthol and 1-acetyl-2-naphthol with triphosgene gave naphtho[1,2-e]-1,3-oxazines, naphtho[2,1-e]-1,3-oxazines or their spiro dimers depending on the molar ratio of triphosgene used for the cyclization.

General DescriptionThe modulation of different photophysical properties of 1′-hydroxy-2′-acetonaphthone (HAN), after encapsulating into the hydrophobic nanocavities of various bile salt aggregates, was studied.