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2-Naphthalenecarboxaldehyde
CAS: 66-99-9 | C11H8O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
66-99-9
Molecular Formula:
C11H8O
Molecular Mass:
156.18 g/mol
Names and Synonyms:
2-Naphthalenecarboxaldehyde
2-Naphthalenecarboxaldehyde
2-Naphthaldehyde
β-Naphthaldehyde
β-Naphthylcarboxaldehyde
2-Formylnaphthalene
β-Formylnaphthalene
2-Naphthylcarboxaldehyde
2-Naphthylaldehyde
β-Naphthoaldehyde
NCR 1 (aldehyde)
NCR 1
Naphthalene-2-carbaldehyde
2-Naphthalenealdehyde
NSC 8557
2-Napthaldehyde
Identifiers:
SMILES:
O=Cc1ccc2ccccc2c1
InChI:
InChI=1S/C11H8O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H
Key Properties
Boiling Point
95-96 °C @ Press: 3 Torr
CAS Common Chemistry
Melting Point
62 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 156.18 g/mol | CAS Common Chemistry |
| 156.18399999999997 g/mol | RDKit | |
| 156.057514876 g/mol | RDKit | |
| Boiling Point | 95-96 °C @ Press: 3 Torr | CAS Common Chemistry |
| Canonical SMILES | O=CC=1C=CC=2C=CC=CC2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C11H8O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H | CAS Common Chemistry |
| InChI Key | InChIKey=PJKVFARRVXDXAD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 62 °C | CAS Common Chemistry |
| Name | 2-Naphthalenecarboxaldehyde | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 2.6523000000000003 | RDKit |
| Molar Refractivity | 49.33550000000002 | RDKit |
