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Dichloro-S-Triazine
CAS: 2831-66-5 | C3HCl2N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2831-66-5
Molecular Formula:
C3HCl2N3
Molecular Weight:
149.96800000000002 g/mol
Names and Synonyms:
Dichloro-S-Triazine
Ekoeba 6
Eco-Ever 6
2,4-Dichlorotriazine
2,4-Dichloro-s-triazine
2,6-Dichloro-1,3,5-triazine
4,6-Dichloro-s-triazine
2,4-Dichloro-sym-triazine
Dichloro-s-triazine
2,4-Dichloro-1,3,5-triazine
s-Triazine, 2,4-dichloro-
1,3,5-Triazine, 2,4-dichloro-
Identifiers:
SMILES:
Clc1ncnc(Cl)n1
InChI:
InChI=1S/C3HCl2N3/c4-2-6-1-7-3(5)8-2/h1H
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 149.97 g/mol | Legacy Database |
| cas-boiling-point | 80-90 °C @ Press: 40 Torr None | Legacy Database |
| cas-canonical-smile | ClC1=NC=NC(Cl)=N1 None | Legacy Database |
| cas-inchi | InChI=1S/C3HCl2N3/c4-2-6-1-7-3(5)8-2/h1H None | Legacy Database |
| cas-inchi-key | InChIKey=OMRXVBREYFZQHU-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 50-52 °C None | Legacy Database |
| cas-name | Dichloro-s-triazine None | Legacy Database |
| LogP | 1.1784 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 149.96800000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 148.954752392 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 38.67 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 29.846999999999998 | RDKit |
