4,5-Dichlorophenol
3,4-Dichlorophenol
CAS: 95-77-2
Molecular Formula: C6H4Cl2O
4,5-Dichlorophenol - Names and Identifiers
| Name | 3,4-Dichlorophenol |
| Synonyms | HSDB 4247 NSC 60648 CCRIS 5904 BRN 1907693 3.4-Dichloroph 4,5-Dichlorophenol 3,4-DICHLOROPHENOL 3,4-Dichlorophenol 3,4-dichloro-pheno 3,4-two chlorophenol Phenol, 3,4-dichloro- 3,3-DICHLORO-HYDROXYBENZENE 4-06-00-00952 (Beilstein Handbook Reference) |
| CAS | 95-77-2 |
| EINECS | 202-450-5 |
| InChI | InChI=1/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H |
| InChIKey | WDNBURPWRNALGP-UHFFFAOYSA-N |
4,5-Dichlorophenol - Physico-chemical Properties
| Molecular Formula | C6H4Cl2O |
| Molar Mass | 163 |
| Density | 1.3446 (rough estimate) |
| Melting Point | 65-67°C(lit.) |
| Boling Point | 145-146°C(lit.) |
| Flash Point | 252-255°C |
| Water Solubility | <0.1 g/100 mL at 20 ºC |
| Solubility | 9260mg/l (experimental) |
| Vapor Presure | 0.0167mmHg at 25°C |
| Appearance | Powder |
| Color | White to brownish |
| BRN | 1907693 |
| pKa | pK1:8.630 (25°C) |
| Storage Condition | 0-6°C |
| Stability | Stable. Combustible. Incompatible with oxidizing agents, acid chlorides, acid anhydrides. |
| Refractive Index | 1.4430 (estimate) |
4,5-Dichlorophenol - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R36/38 - Irritating to eyes and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S28 - After contact with skin, wash immediately with plenty of soap-suds. S37/39 - Wear suitable gloves and eye/face protection |
| UN IDs | UN 2020 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | SK8800000 |
| TSCA | Yes |
| HS Code | 29081000 |
| Hazard Note | Irritant |
| Hazard Class | 6.1 |
| Packing Group | III |
4,5-Dichlorophenol - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | 3, 4-dichlorophenol is used in the synthesis of aryloxyindole as a precursor for pharmaceuticals and bioactive compounds. It is also used for the synthesis of checkpoint kinase inhibitors from 2-arylbenzimidazoles. |
| category | toxic substances |
| toxicity grade | poisoning |
| Acute toxicity | oral-mouse LD50: 1685 mg/kg |
| flammability hazard characteristics | open flame flammable; Toxic chloride gas emitted by heat |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; It is stored and transported separately from food raw materials |
| fire extinguishing agent | carbon dioxide, sand, foam, dry powder |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-10 22:29:15
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