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Tetralin
CAS: 119-64-2 | C10H12
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
119-64-2
Molecular Formula:
C10H12
Molecular Mass:
132.21 g/mol
Names and Synonyms:
Tetralin
Naphthalene, 1,2,3,4-tetrahydro-
1,2,3,4-Tetrahydronaphthalene
Tetrahydronaphthalene
Tetralin
Tetranap
Benzocyclohexane
NSC 77451
Identifiers:
SMILES:
c1ccc2c(c1)CCCC2
InChI:
InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2
Key Properties
Boiling Point
207.6 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-35.8 °C
CAS Common Chemistry
Density
0.97 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 | 132.21 g/mol | CAS Common Chemistry |
| 132.206 g/mol | RDKit | |
| 132.093900384 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.9702 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetralin | CAS Common Chemistry |
| Boiling Point | 207.6 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC2=C(C1)CCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=CXWXQJXEFPUFDZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -35.8 °C | CAS Common Chemistry |
| Name | Tetralin | 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 | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.5654000000000003 | RDKit |
| Molar Refractivity | 43.084000000000024 | RDKit |
