1-Naphthaldehyde
Basic information
- CAS
30678-61-6- Standard SMILES
O=Cc1cccc2ccccc12- InChIKey
SQAINHDHICKHLX-UHFFFAOYSA-N- Molecular formula
- C11H8O
- Average molar mass
- 156.18 g/mol
- Monoisotopic mass
- 156.05751487
Overview
1-naphthaldehyde is a naphthaldehyde with a formyl group at position 1. It has a role as a mouse metabolite.
Names & identifiers
- Preferred name
- 1-Naphthaldehyde
- IUPAC
- naphthalene-1-carbaldehyde
- English name
- 1-Naphthaldehyde
- Molecular formula
- C11H8O
- Molecular weight
- 156.18
Names & synonyms
1-Naphthaldehyde66-77-3naphthalene-1-carbaldehyde1-Formylnaphthalenealpha-Naphthaldehyde1-Naphthylaldehydealpha-Naphthal1-NAPHTHALENECARBOXALDEHYDEalpha-Naphthylaldehydealpha-NaphthylcarboxaldehydeH3I0B5F8SXDTXSID5058775
Show more names
naphthalNaphthalene-1-carboxaldehyde
CHEBI:52367NSC-6106RefChem:434723DTXCID2044686200-633-4Naphthaldehydenaphthalene-1-aldehydeI-Napthaldehyde
Database identifiers
- CAS
30678-61-6、66-77-3- PubChem CID
- 6195
- DTXSID
DTXSID5058775- ChEMBL
CHEMBL3265260- ChEBI
CHEBI:52367- UNII
- H3I0B5F8SX
- EC Number
- 200-633-4
- Nikkaji
- J4.846A
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 164
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Benzaldehydes
DrugsPharmaceuticals -> Metabolite of Terbinafine
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Physical DescriptionYellow liquid with a pungent odor; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 1 · 1-2 °C (lit.)
- Boiling point
- 160 · 160-161 °C/15 mmHg (lit.)
- Density
- 1.15 g/mL · 1.15 g/mL at 25 °C (lit.)
- vapor density
- 1 · >1 (vs air)
- refractive index
- 20 · n20/D 1.652(lit.)
- Flash point
- 230 °F · >230 °F
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
Danger
H290 (41.4%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P332+P317, P362+P364, P363, P390, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 133 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1-Naphthalenecarboxaldehyde
1-Naphthaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes somnolence and muscle weakness in oral lethal-dose studies of rats; Dermal LD50 (guinea pig) >20 mL/kg; [RTECS] A skin, respiratory tract, and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS] See 2-Hydroxy-1-naphthaldehyde. See 2-Methylbenzaldehyde.
Hazard Classes and CategoriesMet. Corr. 1 (41.4%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- QJ0190000
- ridadr
- 3082
- hs_code
- 29122900
- risk_code
- 22-36/37/38
Chemistry & industry
Pharmacology
Metabolism/Metabolites1-Naphtaldehyde has known human metabolites that include 1-Nahthalenethanol and 1-Naphthoic acid.
Cellular LocationsMembrane
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing Information1-Naphthalenecarboxaldehyde: ACTIVE
Applications
Uses1-Naphthaldehyde is used in the synthesis of single-crystalline homochiral porous metal-organic frameworks (MOFs). It is also a starting material for the Canizzaro reaction to produce 1-Naphthoic acid and 1-Naphthalenemethanol.
Uses1-Naphthaldehyde can be used to synthesize:(S)-1-α-naphthyl-1-ethanolN-(4-aryl)-N-(α-naphthyliden)aminesN-aryl-N-[1-(1-naphthyl)but-3-enyl]aminesnaphthalene-1-carboxylic acid methyl ester
Upstream & downstream products
Downstream products
Related reactions
239 records
Compound notes
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