Basic information
- 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- PubChem CID
- 12819
- DTXSID
DTXSID9061041- ChEMBL
CHEMBL3265255- ChEBI
CHEBI:137369- UNII
- PP9CFN7QNL
- EC Number
- 211-902-0
- Nikkaji
- J40.507H
Properties
Computed structural properties
- 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
- pka
- 8.27 · 8.27±0.50(Predicted)
- color
- Yellow
- Water Solubility
- Soluble in water (40 g/L at 20°C).
- Sensitive
- Air Sensitive
- BRN
- 742777 · 742777
- LogP
- 6 at · 6 at 23℃ and pH8
- CAS DataBase Reference
- 708 · 708-06-5(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 9 CFN7QNL · PP9CFN7QNL
- NIST Chemistry Reference
- 1 · 1-Naphthalenecarboxaldehyde, 2-hydroxy-(708-06-5)
- EPA Substance Registry System
- 1 · 1-Naphthalenecarboxaldehyde, 2-hydroxy- (708-06-5)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · P273-P391-P501
- Hazard Codes
- Xi,N
- Risk Statements
- 36 · 36/37/38-50/53
- Safety Statements
- 26 · 26-36-60-61-24/25-37
- RIDADR
- 3077 · UN 3077 9/PG 3
- WGK Germany
- 2 · 2
- RTECS
- 300000 · QJ0300000
- TSCA
- TSCA listed
- HazardClass
- 9 · 9
- HS Code
- 29124990 · 29124990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 1 Aquatic · Aquatic Acute 1Aquatic Chronic 1
- REACH Registrations
- Active
Safety & regulation
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
- Symbol(GHS)
- GHS09
- hazard_code
- Xi,N
- safety_code
- 26-36-60-61-24/25-37
- hazard_class
- 9
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H410
- REACH Registrations
- Active
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1
- Precautionary statements
- P273-P391-P501
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
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Additional notes
DefinitionChEBI: 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 naphthaldehydes and a member of naphthols.
Related reactions
58 records
Linked notes
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