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Molecule
Naphthalene-D8
CAS: 1146-65-2 · C10H8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1146-65-2
- Molecular Formula
- C10H8
- Molecular Mass
- 136.22 g/mol
Identifiers
CAS Registry Number
1146-65-2
SMILES
[2H]c1c([2H])c([2H])c2c([2H])c([2H])c([2H])c([2H])c2c1[2H]
InChI Key
UFWIBTONFRDIAS-PGRXLJNUSA-N
InChI
InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H/i1D,2D,3D,4D,5D,6D,7D,8D
Names and Synonyms
- Naphthalene-D8 Synonym
- Naphthalene (C10D8) Synonym
- 1,2,3,4,5,6,7,8-Octadeuterionaphthalene Synonym
- Naphthalene-1,2,3,4,5,6,7,8-d8 Synonym
- Naphthalene-d8 Synonym
- Octadeuterionaphthalene Synonym
- Perdeuteronaphthalene Synonym
- Octadeuteronaphthalene Synonym
- Perdeuterated naphthalene Synonym
- Perdeuterionaphthalene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 136.22 g/mol | CAS Common Chemistry |
| 136.22281422399996 g/mol | RDKit | |
| 136.11281422399998 g/mol | RDKit | |
| 136.2228 g/mol | RDKit | |
| Density | 1.24 g/cm³ | CAS Common Chemistry |
| 1.242 g/cm3 @ 20 °C | 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/i1D,2D,3D,4D,5D,6D,7D,8D | CAS Common Chemistry |
| InChI Key | InChIKey=UFWIBTONFRDIAS-PGRXLJNUSA-N | CAS Common Chemistry |
| Melting Point | 77.5 °C | CAS Common Chemistry |
| Name | Naphthalene-d8 | 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 | 2.8397999999999994 | RDKit |
| 2.8398 | RDKit | |
| Molar Refractivity | 43.948 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 128.174 g/mol | chempirical lib |
| Boiling Point | 217.1 °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
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Quick conversion
MW = 136.22 g/mol; density = 1.240 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H8.
