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1,2,3,4-Tetrachloronaphthalene
CAS: 20020-02-4 | C10H4Cl4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
20020-02-4
Molecular Formula:
C10H4Cl4
Molecular Mass:
265.95 g/mol
Names and Synonyms:
1,2,3,4-Tetrachloronaphthalene
Naphthalene, 1,2,3,4-tetrachloro-
1,2,3,4-Tetrachloronaphthalene
TCN
PCN 27
NSC 524443
Identifiers:
SMILES:
Clc1c(Cl)c(Cl)c2ccccc2c1Cl
InChI:
InChI=1S/C10H4Cl4/c11-7-5-3-1-2-4-6(5)8(12)10(14)9(7)13/h1-4H
Key Properties
Melting Point
199 °C
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 | 265.95 g/mol | CAS Common Chemistry |
| 265.954 g/mol | RDKit | |
| 263.906710848 g/mol | RDKit | |
| Canonical SMILES | ClC=1C(Cl)=C(Cl)C=2C=CC=CC2C1Cl | CAS Common Chemistry |
| InChI | InChI=1S/C10H4Cl4/c11-7-5-3-1-2-4-6(5)8(12)10(14)9(7)13/h1-4H | CAS Common Chemistry |
| InChI Key | InChIKey=NAQWICRLNQSPPW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 199 °C | CAS Common Chemistry |
| Name | 1,2,3,4-Tetrachloronaphthalene | CAS Common Chemistry |
| Heavy Atom Count | 14 | 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 | 5.453400000000001 | RDKit |
| Molar Refractivity | 63.988000000000014 | RDKit |
