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Molecule
Anilazine
CAS: 101-05-3 · C9H5Cl3N4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 101-05-3
- Molecular Formula
- C9H5Cl3N4
- Molecular Mass
- 275.53 g/mol
Identifiers
CAS Registry Number
101-05-3
SMILES
Clc1nc(Cl)[nH]c(=Nc2ccccc2Cl)n1
InChI Key
IMHBYKMAHXWHRP-UHFFFAOYSA-N
InChI
InChI=1S/C9H5Cl3N4/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H,13,14,15,16)
Names and Synonyms
- Anilazine Common Name
- 1,3,5-Triazin-2-amine, 4,6-dichloro-N-(2-chlorophenyl)- Synonym
- s-Triazine, 2,4-dichloro-6-(o-chloroanilino)- Synonym
- 4,6-Dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine Synonym
- B 622 Synonym
- 2,4-Dichloro-6-o-chloranilino-s-triazine Synonym
- 2,4-Dichloro-6-(o-chloroanilino)-s-triazine Synonym
- 2,4-Dichloro-6-(2-chloroanilino)-1,3,5-triazine Synonym
- Kemate Synonym
- Dyrene Synonym
- 2,4-Dichloro-6-(2-chloranilino)-s-triazine Synonym
- Dyrene 50W Synonym
- Triazin Synonym
- 2-(o-Chloroanilino)-4,6-dichloro-1,3,5-triazine Synonym
- Anilazine Synonym
- 2,4-Dichloro-6-(o-chloroanilino)-1,3,5-triazine Synonym
- 2-(2-Chloroanilino)-4,6-dichloro-s-triazine Synonym
- 2-(2′-Chloroanilino)-4,6-dichloro-s-triazine Synonym
- Triazine (pesticide) Synonym
- Triazine Synonym
- Anilazin Synonym
- Bortrysan Synonym
- Zinochlor Synonym
- 2,4-Dichloro-6-(o-chlorophenyl)amino-s-triazine Synonym
- Aniyaline Synonym
- Dyrene Flussig Synonym
- NSC 3851 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 275.53 g/mol | CAS Common Chemistry |
| 275.526 g/mol | RDKit | |
| 275.517 g/mol | chempirical lib | |
| Density | 1.80 g/cm³ | CAS Common Chemistry |
| 1.8 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Anilazine | CAS Common Chemistry |
| Canonical SMILES | ClC=1N=C(Cl)N=C(N1)NC=2C=CC=CC2Cl | CAS Common Chemistry |
| InChI | InChI=1S/C9H5Cl3N4/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H,13,14,15,16) | CAS Common Chemistry |
| InChI Key | InChIKey=IMHBYKMAHXWHRP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 159-160 °C | CAS Common Chemistry |
| Name | Triazin | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 53.93 Ų | RDKit |
| 49.08 Ų | chempirical lib | |
| LogP | 2.9973 | RDKit |
| Molar Refractivity | 63.07770000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 273.9579792 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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.
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MW = 275.53 g/mol; density = 1.800 g/mL. Edit any field — others recompute live.
