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1-Naphthalenecarboxaldehyde
CAS: 66-77-3 | C11H8O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
66-77-3
Molecular Formula:
C11H8O
Molecular Mass:
156.18 g/mol
Names and Synonyms:
1-Naphthalenecarboxaldehyde
1-Naphthalenecarboxaldehyde
1-Naphthaldehyde
α-Naphthaldehyde
1-Naphthylaldehyde
1-Formylnaphthalene
α-Naphthylaldehyde
α-Naphthylcarboxaldehyde
1-Naphthylcarboxaldehyde
α-Naphthalenecarboxaldehyde
α-Naphthoaldehyde
Naphthalene-1-carbaldehyde
Naphthalene-1-aldehyde
NSC 6106
4-Naphthalene-1-carboxaldehyde
Identifiers:
SMILES:
O=Cc1cccc2ccccc12
InChI:
InChI=1S/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H
Key Properties
Boiling Point
292 °C
CAS Common Chemistry
Melting Point
33.5 °C
CAS Common Chemistry
Density
1.07 g/cm³
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 | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.066 g/cm3 @ Temp: 30 °C | CAS Common Chemistry | |
| Boiling Point | 292 °C | CAS Common Chemistry |
| Canonical SMILES | O=CC1=CC=CC=2C=CC=CC12 | CAS Common Chemistry |
| InChI | InChI=1S/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H | CAS Common Chemistry |
| InChI Key | InChIKey=SQAINHDHICKHLX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 33.5 °C | CAS Common Chemistry |
| Name | 1-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 | 2.652300000000001 | RDKit |
| Molar Refractivity | 49.335500000000025 | RDKit |
