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Vinyzene DP 7000
CAS: 3380-34-5 | C12H7Cl3O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3380-34-5
Molecular Formula:
C12H7Cl3O2
Molecular Weight:
289.54499999999996 g/mol
Names and Synonyms:
Vinyzene DP 7000
Synonym
TCCP
Synonym
Yujiexin
Synonym
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
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
Identifiers:
SMILES:
Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
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
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 |
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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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 289.55 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Triclosan None | Legacy Database |
| cas-boiling-point | 50-54 °C None | Legacy Database |
| cas-canonical-smile | ClC1=CC=C(OC2=CC=C(Cl)C=C2O)C(Cl)=C1 None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=XEFQLINVKFYRCS-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 54-57.3 °C None | Legacy Database |
| cas-name | Triclosan None | Legacy Database |
| wikipedia-name | Triclosan None | Legacy Database |
| LogP | 5.144700000000002 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 289.54499999999996 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 287.951162504 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 17 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 29.46 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 69.65280000000003 | RDKit |