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2-Amino-4,6-Dichloro-1,3,5-Triazine
CAS: 933-20-0 | C3H2Cl2N4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
933-20-0
Molecular Formula:
C3H2Cl2N4
Molecular Mass:
164.98 g/mol
Names and Synonyms:
2-Amino-4,6-Dichloro-1,3,5-Triazine
1,3,5-Triazin-2-amine, 4,6-dichloro-
4,6-Dichloro-1,3,5-triazin-2-amine
2-Amino-4,6-dichloro-s-triazine
2,4-Dichloro-6-amino-1,3,5-triazine
6-Amino-2,4-dichloro-s-triazine
2-Amino-4,6-dichloro-1,3,5-triazine
4,6-Dichloro-2-amino-s-triazine
2,4-Dichloro-6-amino-s-triazine
4,6-Dichloro-2-aminotriazine
s-Dichloroaminotriazine
2,6-Dichloro-4-amino-s-triazine
4,6-Dichloro-s-triazin-2-amine
Aminodichloro-s-triazine
6-Amino-2,4-dichloro-1,3,5-triazine
NSC 267458
NSC 71988
2-Amino-4,6-dichlorotriazine
(4,6-Dichloro-[1,3,5]triazin-2-yl)amine
s-Triazine, 2-amino-4,6-dichloro-
Identifiers:
SMILES:
N=c1nc(Cl)nc(Cl)[nH]1
InChI:
InChI=1S/C3H2Cl2N4/c4-1-7-2(5)9-3(6)8-1/h(H2,6,7,8,9)
Key Properties
Melting Point
235-236 °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 | 164.98 g/mol | CAS Common Chemistry |
| 164.98300000000003 g/mol | RDKit | |
| 163.965651424 g/mol | RDKit | |
| Canonical SMILES | ClC=1N=C(Cl)N=C(N1)N | CAS Common Chemistry |
| InChI | InChI=1S/C3H2Cl2N4/c4-1-7-2(5)9-3(6)8-1/h(H2,6,7,8,9) | CAS Common Chemistry |
| InChI Key | InChIKey=MCLXKFUCPVGZEN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 235-236 °C | CAS Common Chemistry |
| Name | 2-Amino-4,6-dichloro-1,3,5-triazine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 65.42 Ų | RDKit |
| LogP | 0.59097 | RDKit |
| Molar Refractivity | 32.257400000000004 | RDKit |
