HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,3,5,6-Tetrachlorophenol
NSC 407823 · 2,3,5,6-TCP · 2,3,5,6-TECP · 2.3.5.6-Tetr · Fourchlorophenol · 2,3,5,6-tetrachloro-pheno · 2，3，5，6-Tetrachloropheno1 · 2,3,5,6-Tetrachlorophenol
Identifiers & Physical Properties
| CAS No. | 935-95-5 |
|---|---|
| Molecular formula | C6H2Cl4O |
| Average molar mass | 231.9 g/mol |
| Monoisotopic mass | 229.885975 g/mol |
| SMILES | Oc1c(Cl)c(Cl)cc(Cl)c1Cl |
| InChIKey | KEWNKZNZRIAIAK-UHFFFAOYSA-N |
| PubChem CID | 13636 |
| ChEMBL | CHEMBL1606550 |
| ChEBI | CHEBI:52048 |
| EC No. | 213-310-8 |
| DTXSID | DTXSID2026101 |
Chemical & Physical Properties
| XLogP | 3.9 |
|---|---|
| Topological polar surface area | 20.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 129 |
| Melting point | 115-116℃ (isooctane ) |
| Boiling point | 331.59°C (rough estimate) |
| Density | 1.6 g/cm3 (60℃) |
| Refractive index | 1.5133 (estimate) |
| Flash point | 11 °C |
| Storage conditions | APPROX 4°C |
| Solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)0.1g/L(25 ºC) |
| pKa (acidity coefficient) | 5.09±0.20(Predicted) |
| BRN | 2049586 |
| Henry's law constant | 4.3×100 mol/(m3Pa) at 25℃, Mackay et al. (2006) |
| Major applications | environmental |
| InChI | 1S/C6H2Cl4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H |
| InChIKey | KEWNKZNZRIAIAK-UHFFFAOYSA-N |
| SMILES | Oc1c(Cl)c(Cl)cc(Cl)c1Cl |
| CAS DataBase Reference | 935-95-5(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | SW5F2W8SDJ |
| EPA Substance Registry System | 2,3,5,6-Tetrachlorophenol (935-95-5) |
| UNSPSC Code | 12000000 |
| NACRES | NA.24 |
| GHS pictogram | GHS06,GHS09 |
| Signal word | Danger |
| GHS hazard statements | H301-H335-H410 |
| GHS precautionary statements | P273-P301+P310+P330 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges |
| Hazard symbols | T,F |
| Risk statements (R) | 25-37/38-41-39/23/24/25-23/24/25-11 |
| Safety statements (S) | 26-39-45-36/37-16 |
| UN transport number | UN 2020 6.1/PG 3 |
| Water hazard class (WGK) | 3 |
| RTECS number | SM9450000 |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Hazard class | Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1STOT SE 3 |
| Hazardous substances data | 935-95-5(Hazardous Substances Data) |
Safety & Regulations
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges |
|---|---|
| Water hazard class (WGK) | 3 |
| RTECS number | SM9450000 |
| UN transport number | UN 2020 6.1/PG 3 |
| Risk statements (R) | 25-37/38-41-39/23/24/25-23/24/25-11 |
| Signal word | Danger |
| GHS pictogram | GHS06,GHS09 |
| Hazard symbols | T,F |
| Safety statements (S) | 26-39-45-36/37-16 |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Target organs | Respiratory system |
| GHS hazard statements | H301-H335-H410 |
| Hazard class | Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1STOT SE 3 |
| GHS precautionary statements | P273-P301+P310+P330 |
| Hazardous substances data | 935-95-5(Hazardous Substances Data) |
Applications & Uses
Uses
Fungicide, wood preservative.
General Description
Leaflets (from ligroin) or light beige powder.