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Naphthalene
CAS: 91-20-3 | C10H8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
91-20-3
Molecular Formula:
C10H8
Molecular Mass:
128.17 g/mol
Names and Synonyms:
Naphthalene
Naphthalene
Moth flakes
Tar camphor
White tar
Albocarbon
Dezodorator
Naphthene
NSC 37565
Identifiers:
SMILES:
c1ccc2ccccc2c1
InChI:
InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
Key Properties
Boiling Point
217.9 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
80.2 °C
CAS Common Chemistry
Density
1.16 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 | 128.17 g/mol | CAS Common Chemistry |
| 128.17399999999995 g/mol | RDKit | |
| 128.062600256 g/mol | RDKit | |
| Density | 1.16 g/cm³ | CAS Common Chemistry |
| 1.162 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Naphthalene | CAS Common Chemistry |
| Boiling Point | 217.9 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC=2C=CC=CC2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H | CAS Common Chemistry |
| InChI Key | InChIKey=UFWIBTONFRDIAS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 80.2 °C | CAS Common Chemistry |
| Name | Naphthalene | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.839800000000001 | RDKit |
| Molar Refractivity | 43.94800000000003 | RDKit |
