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Molecule
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 Mass
- 149.97 g/mol
Identifiers
CAS Registry Number
2831-66-5
SMILES
Clc1ncnc(Cl)n1
InChI Key
OMRXVBREYFZQHU-UHFFFAOYSA-N
InChI
InChI=1S/C3HCl2N3/c4-2-6-1-7-3(5)8-2/h1H
Names and Synonyms
- Dichloro-S-Triazine Common Name
- 1,3,5-Triazine, 2,4-dichloro- Synonym
- s-Triazine, 2,4-dichloro- Synonym
- 2,4-Dichloro-1,3,5-triazine Synonym
- Dichloro-s-triazine Synonym
- 2,4-Dichloro-sym-triazine Synonym
- 4,6-Dichloro-s-triazine Synonym
- 2,6-Dichloro-1,3,5-triazine Synonym
- 2,4-Dichloro-s-triazine Synonym
- 2,4-Dichlorotriazine Synonym
- Eco-Ever 6 Synonym
- Ekoeba 6 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 149.97 g/mol | CAS Common Chemistry |
| 149.96800000000002 g/mol | RDKit | |
| 149.968 g/mol | RDKit | |
| 149.962 g/mol | chempirical lib | |
| Canonical SMILES | ClC1=NC=NC(Cl)=N1 | CAS Common Chemistry |
| InChI | InChI=1S/C3HCl2N3/c4-2-6-1-7-3(5)8-2/h1H | CAS Common Chemistry |
| InChI Key | InChIKey=OMRXVBREYFZQHU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 50-52 °C | CAS Common Chemistry |
| Name | Dichloro-s-triazine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 38.67 Ų | RDKit |
| 37.08 Ų | chempirical lib | |
| LogP | 1.1784 | RDKit |
| Molar Refractivity | 29.846999999999998 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 148.954752392 g/mol | RDKit |
| Boiling Point | 80-90 °C @ 40 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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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MW = 149.97 g/mol. Edit any field — others recompute live.
