Back to Search
Molecule
Triclosan
CAS: 3380-34-5 · C12H7Cl3O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3380-34-5
- Molecular Formula
- C12H7Cl3O2
- Molecular Mass
- 289.55 g/mol
Identifiers
CAS Registry Number
3380-34-5
SMILES
Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
InChI Key
XEFQLINVKFYRCS-UHFFFAOYSA-N
InChI
InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
Names and Synonyms
- Triclosan Synonym
- Phenol, 5-chloro-2-(2,4-dichlorophenoxy)- Synonym
- 5-Chloro-2-(2,4-dichlorophenoxy)phenol Synonym
- 2,4,4′-Trichloro-2′-hydroxydiphenyl ether Synonym
- Irgasan CH 3565 Synonym
- Irgasan DP 300 Synonym
- 2-Hydroxy-2′,4,4′-trichlorodiphenyl ether Synonym
- 2′,4′,4-Trichloro-2-hydroxydiphenyl ether Synonym
- 2,2′-Oxybis(1′,5′-dichlorophenyl-5-chlorophenol) Synonym
- 4-Chloro-2-hydroxyphenyl 2,4-dichlorophenyl ether Synonym
- Triclosan Synonym
- CH 3565 Synonym
- 2′,4,4′-Trichloro-2-hydroxydiphenyl ether Synonym
- Irgasan Synonym
- 3-Chloro-6-(2,4-dichlorophenoxy)phenol Synonym
- Irgasan DP 3000 Synonym
- Zilesan UW Synonym
- THDP Synonym
- Bacti-Stat soap Synonym
- Irgasan DP 30 Synonym
- DP 300 Synonym
- Irgasan PE 30 Synonym
- Irgasan PG 60 Synonym
- Irgacide LP 10 Synonym
- Microban Additive B Synonym
- Ultra-Fresh NM 100 Synonym
- NM 100 Synonym
- Microban B Synonym
- Irgaguard B 1000 Synonym
- Tinosan AM 100 Synonym
- Tinosan AM 110 Synonym
- Yujiexin Synonym
- Vinyzene DP 7000 Synonym
- TCCP Synonym
- 2′-Hydroxy-2,4,4′-trichlorodiphenyl ether Synonym
- Irgasan DP 400 Synonym
- Oletron Synonym
- Cansan TCH Synonym
- SterZac Synonym
- CH 3635 Synonym
- Sapoderm Synonym
- Gamophen Synonym
- Aquasept Synonym
- Sanitized XTX Synonym
- Irgacare MP Synonym
- Irgaguard B 1325 Synonym
- Ultra-Fresh NM-V 2 Synonym
- Microban Synonym
- 2,4,4′-Trichloro-2′-hydroxyldiphenyl ether Synonym
- Microfresh Liquid Formulation 9200-200 Synonym
- Invasan Synonym
- Invasan DP 300R Synonym
- Microfresh 9200-200 Synonym
- Anvasan AM 110 Synonym
- Anvasan AM 110 new Synonym
- 2-(2,4-Dichlorophenoxy)-5-chlorophenol Synonym
- Germicide CA Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 289.55 g/mol | CAS Common Chemistry |
| 289.54499999999996 g/mol | RDKit | |
| 289.545 g/mol | RDKit | |
| 289.536 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Triclosan | CAS Common Chemistry |
| Boiling Point | 50-54 °C | CAS Common Chemistry |
| Canonical SMILES | ClC1=CC=C(OC2=CC=C(Cl)C=C2O)C(Cl)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | CAS Common Chemistry |
| InChI Key | InChIKey=XEFQLINVKFYRCS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 54-57.3 °C | CAS Common Chemistry |
| Name | Triclosan | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 5.144700000000002 | RDKit |
| 5.1447 | RDKit | |
| Molar Refractivity | 69.65280000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 287.951162504 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 289.55 g/mol. Edit any field — others recompute live.
