2-Hydroxy-1-naphthaldehyde
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Basic information
- CAS
708-06-5- Standard SMILES
O=Cc1c(O)ccc2ccccc12- InChIKey
NTCCNERMXRIPTR-UHFFFAOYSA-N- Molecular formula
- C11H8O2
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.0524295
Overview
2-hydroxy-1-naphthaldehyde is a member of the class of naphthaldehydes that is naphthalene-1-carbaldehyde substituted by a hydroxy group at position 2. Active core of sirtinol (CHEBI:73158). It is a member of naphthols and a member of naphthaldehydes.
Names & identifiers
- Preferred name
- 2-Hydroxy-1-naphthaldehyde
- IUPAC
- 2-hydroxynaphthalene-1-carbaldehyde
- English name
- 2-Hydroxy-1-naphthaldehyde
- Molecular formula
- C11H8O2
- Molecular weight
- 172.18
Names & synonyms
2-Hydroxy-1-naphthaldehyde708-06-51-Formyl-2-naphthol1-Naphthalenecarboxaldehyde, 2-hydroxy-2-Hydroxy-1-naphthalaldehyde2-Hydroxy-1-naphthylaldehyde2-Naphthol 1-carboxaldehyde2-Hydroxy-1-naphthalenecarboxaldehydebeta-Hydroxynaphthaldehyde1-Hydroxy-2-naphthalenecarboxaldehydePP9CFN7QNLCHEBI:137369
Show more names
2-Hydroxy-1-napthaldehydeCFL-137AKOS 90775AKOS BBS-00003198TIMTEC-BB SBB0038352-Hydroxy-1-naphthalHydroxy-1-naphthaldeh2-NAPHTHOL-1-ALDEHYDEβ-Naphthol-1-aldehyde
NSC-2104DTXSID9061041NC-014NSC-402586RefChem:473023DTXCID4046812211-902-02-hydroxynaphthalene-1-carbaldehyde
Database identifiers
- CAS
708-06-5
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 191
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Benzaldehydes
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physical DescriptionPowder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 76 · 76-80 °C (lit.)
- Boiling point
- 192 °C/27 · 192 °C/27 mmHg (lit.)
- Density
- 1.1153 · 1.1153 (rough estimate)
- vapor pressure
- 0.002 Pa · 0.002Pa at 20℃
- refractive index
- 1.55 · 1.5500 (estimate)
- Flash point
- 191 · 191-193°C/27mm
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Chloroform, Methanol
- form
- Crystalline Moist Powder
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (99.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2166 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1-Naphthalenecarboxaldehyde, 2-hydroxy-
Status: Active Update: 24-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/16591
1-Naphthalenecarboxaldehyde, 2-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes effects on food intake, muscle contraction or spasticity, and dyspnea in intraperitoneal lethal-dose studies of mice and rats; Causes decreased urine volume, changes in clotting factors, and changes in leukocyte count in 30-day intermittent oral studies of rats; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAquatic Acute 1 (99.7%)
Safety data
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- QJ0300000
- ridadr
- UN 3077 9/PG 3
- hs_code
- 29124990
- risk_code
- 36/37/38-50/53
- Signal word
- Warning
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Naphthalenecarboxaldehyde, 2-hydroxy-: ACTIVE
Applications
Uses2-Hydroxy-1-naphthaldehyde is used in Merrified-type synthesis to deterime free amino acid groups in polymers.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
58 records
Compound notes
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