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Anilazine
CAS: 101-05-3 | C9H5Cl3N4
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
101-05-3
Molecular Formula:
C9H5Cl3N4
Molecular Mass:
275.53 g/mol
Names and Synonyms:
Anilazine
1,3,5-Triazin-2-amine, 4,6-dichloro-N-(2-chlorophenyl)-
s-Triazine, 2,4-dichloro-6-(o-chloroanilino)-
4,6-Dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine
B 622
2,4-Dichloro-6-o-chloranilino-s-triazine
2,4-Dichloro-6-(o-chloroanilino)-s-triazine
2,4-Dichloro-6-(2-chloroanilino)-1,3,5-triazine
Kemate
Dyrene
2,4-Dichloro-6-(2-chloranilino)-s-triazine
Dyrene 50W
Triazin
2-(o-Chloroanilino)-4,6-dichloro-1,3,5-triazine
Anilazine
2,4-Dichloro-6-(o-chloroanilino)-1,3,5-triazine
2-(2-Chloroanilino)-4,6-dichloro-s-triazine
2-(2′-Chloroanilino)-4,6-dichloro-s-triazine
Triazine (pesticide)
Triazine
Anilazin
Bortrysan
Zinochlor
2,4-Dichloro-6-(o-chlorophenyl)amino-s-triazine
Aniyaline
Dyrene Flussig
NSC 3851
Identifiers:
SMILES:
Clc1nc(Cl)[nH]c(=Nc2ccccc2Cl)n1
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)
Key Properties
Melting Point
159-160 °C
CAS Common Chemistry
Density
1.80 g/cm³
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 | 275.53 g/mol | CAS Common Chemistry |
| 275.526 g/mol | RDKit | |
| 273.9579792 g/mol | RDKit | |
| Density | 1.80 g/cm³ | CAS Common Chemistry |
| 1.8 g/cm3 @ Temp: 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 |
| Anilazine | 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 |
| LogP | 2.9973 | RDKit |
| Molar Refractivity | 63.07770000000001 | RDKit |
