Basic information
- Standard SMILES
O=Cc1ccc2ccccc2c1- InChIKey
PJKVFARRVXDXAD-UHFFFAOYSA-N- Molecular formula
- C11H8O
- Average molar mass
- 156.18 g/mol
- Monoisotopic mass
- 156.05751488
Overview
2-naphthaldehyde is a naphthaldehyde that is naphthalene substituted by a formyl group at position 2. It has a role as a mouse metabolite.
Names & identifiers
- Preferred name
- 2-Naphthalenecarboxaldehyde
- IUPAC
- naphthalene-2-carbaldehyde
- English name
- 2-Naphthaldehyde
- Molecular formula
- C11H8O
- Molecular weight
- 156.18
Names & synonyms
2-Naphthaldehyde66-99-92-Naphthalenecarboxaldehyde2-Formylnaphthalenebeta-Naphthaldehydebeta-Formylnaphthalenebeta-NaphthylcarboxaldehydeGZX30H50DENSC-8557DTXSID6075352CHEBI:52368RefChem:88449
Show more names
2-NAPHTHALENECARBALDEHYDE2-NaphthaL2-NaphthakdehydeB-NAPHTHALDEHYDENaphthaldehyde,97%2-NAPHTHYLALDEHYDE
DTXCID7044687200-640-2naphthalene-2-carbaldehydenaphthalene-2-carboxaldehyde.beta.-Naphthaldehyde.beta.-Formylnaphthalene2-naphtoaldehyde2-Naphathalenecarboxaldehyde
Database identifiers
- CAS
66-99-9- PubChem CID
- 6201
- DTXSID
DTXSID6075352- ChEMBL
CHEMBL2289234- ChEBI
CHEBI:52368- UNII
- GZX30H50DE
- EC Number
- 200-640-2
- Nikkaji
- J4.847J
Properties
Computed structural properties
- XLogP
- 3
- 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 -> Aldehydes
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physical DescriptionOff-white to light yellow powder and chunks; [Acros Organics MSDS]
Physicochemical properties
- Melting point
- 58 · 58-61 °C (lit.)
- Boiling point
- 160 °C · 160 °C (19 mmHg)
- Density
- 1.6211 · 1.6211
- refractive index
- 1.6211 · 1.6211 (estimate)
- Flash point
- 160 °C/19mm · 160°C/19mm
- storage temp.
- -20 °C · -20°C
- solubility
- Chloroform, Methanol (Sparingly)
- form
- Powder or Chunks
- color
- Off-white to yellow or light beige
- Water Solubility
- Soluble in hot water.
- FreezingPoint
- 1.0755 · 1.0755
- Sensitive
- Air Sensitive
- BRN
- 507750 · 507750
- Henry's Law Constant
- 6 · 6.0×101 mol/(m3Pa) at 25℃, Abraham and Jr. (2019)
- InChI
- 1S/C11H8O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H
- InChIKey
- PJKVFARRVXDXAD-UHFFFAOYSA-N
- SMILES
- [H]C(=O)c1ccc2ccccc2c1
- CAS DataBase Reference
- 66 · 66-99-9(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 30 H50DE · GZX30H50DE
- NIST Chemistry Reference
- 2 · 2-Naphthalenecarboxaldehyde(66-99-9)
- EPA Substance Registry System
- 2 · 2-Naphthalenecarboxaldehyde (66-99-9)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07,GHS06
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H301-H335
- Precautionary statements
- 280 a-P301+P310a-P305+P351+P338-P405-P501a-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501 · P280a-P301+P310a-P305+P351+P338-P405-P501a-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xn,Xi
- Risk Statements
- 36 · 36/37/38-22
- Safety Statements
- 22 · 22-24/25-36-26
- RIDADR
- 3335 · UN 3335
- WGK Germany
- 3 · 3
- RTECS
- 190010 · QJ0190010
- F
- 10 · 10-23
- HS Code
- 29122900 · 29122900
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2-Naphthalenecarboxaldehyde
2-Naphthaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant and lachrymator; Harmful by ingestion; [Acros Organics MSDS] See Naphthalene.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Toxicology
Adverse EffectsLacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.
Safety data
- F
- 10-23
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- QJ0190010
- ridadr
- UN 3335
- hs_code
- 29122900
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS06
- hazard_code
- Xn,Xi
- safety_code
- 22-24/25-36-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302+H312+H332-H315-H319-H301-H335
- Precautionary statements
- P280a-P301+P310a-P305+P351+P338-P405-P501a-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
Uses2-Naphthaldehyde aids in stereo-selective formation of bicyclo 2-siloxy-2-alkoxyoxetanes. It is also used as catalytic agent and petrochemical additive.
Uses2-Naphthaldehyde can be used as a reactant:In proline catalyzed aldol reaction. In asymmetric three-component Mannich reaction.For the synthesis of Hantzsch 1,4-dihydropyridines.13}Asymmetric benzoin condensation reaction.For the synthesis of pyrazolo[1,2b]phthalazinediones.For the synthesis C60 by flash vacuum pyrolysis.
Upstream & downstream products
Upstream raw materials
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Additional notes
DefinitionChEBI: A naphthaldehyde that is naphthalene substituted by a formyl group at position 2.
Related reactions
188 records
Linked notes
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