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2-Chloro-4,6-Diphenyl-1,3,5-Triazine
CAS: 3842-55-5 | C15H10ClN3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3842-55-5
Molecular Formula:
C15H10ClN3
Molecular Mass:
267.72 g/mol
Names and Synonyms:
2-Chloro-4,6-Diphenyl-1,3,5-Triazine
1,3,5-Triazine, 2-chloro-4,6-diphenyl-
s-Triazine, 2-chloro-4,6-diphenyl-
2-Chloro-4,6-diphenyl-1,3,5-triazine
2-Chloro-4,6-bisphenyl-1,3,5-triazine
6-Chloro-2,4-diphenyl-s-triazine
2-Chloro-4,6-diphenyl-s-triazine
NSC 231670
2-Chloro-4,6-diphenyltriazine
2-Chlorodiphenyl-1,3,5-triazine
Identifiers:
SMILES:
Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChI:
InChI=1S/C15H10ClN3/c16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1-10H
Key Properties
Melting Point
135-136 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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5
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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 | 267.72 g/mol | CAS Common Chemistry |
| 267.719 g/mol | RDKit | |
| 267.056325 g/mol | RDKit | |
| Canonical SMILES | ClC=1N=C(N=C(N1)C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C15H10ClN3/c16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1-10H | CAS Common Chemistry |
| InChI Key | InChIKey=DDGPPAMADXTGTN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 135-136 °C | CAS Common Chemistry |
| Name | 2-Chloro-4,6-diphenyl-1,3,5-triazine | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 38.67 Ų | RDKit |
| LogP | 3.8590000000000018 | RDKit |
| Molar Refractivity | 75.70900000000003 | RDKit |
