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Molecule
Naphthalene
CAS: 91-20-3 · C10H8
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 91-20-3
- Molecular Formula
- C10H8
- Molecular Mass
- 128.17 g/mol
Identifiers
CAS Registry Number
91-20-3
SMILES
c1ccc2ccccc2c1
InChI Key
UFWIBTONFRDIAS-UHFFFAOYSA-N
InChI
InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
Names and Synonyms
- Naphthalene Synonym
- Naphthalene Synonym
- Moth flakes Synonym
- Tar camphor Synonym
- White tar Synonym
- Albocarbon Synonym
- Dezodorator Synonym
- Naphthene Synonym
- NSC 37565 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 128.17 g/mol | CAS Common Chemistry |
| 128.17399999999995 g/mol | RDKit | |
| 128.174 g/mol | RDKit | |
| Density | 1.16 g/cm³ | CAS Common Chemistry |
| 1.162 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Naphthalene | 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 |
| 2.8398 | RDKit | |
| Molar Refractivity | 43.94800000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 128.062600256 g/mol | RDKit |
| Boiling Point | 217.9 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Safety
Found in products
Vendor products containing this compound. Click through to the SDS revision history. Vendor URLs may rot; the linked PDFs are frozen copies retrieved on the listed date.
Convert
Quick conversion
MW = 128.17 g/mol; density = 1.160 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H8.
