HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Chlororesorcinol
2-Chlorobenzene-1,3-diol · 2-Chlorresorcine · 2-CHLORORESORCINOL · 2-Chlororesorcinol 97% · Flumazenil Impurity 22 · Phloroglucinol Impurity 47 · 1,3-Benzenediol, 2-chloro- · 2,6-DIHYDROXYCHLOROBENZENE
Identifiers & Physical Properties
| CAS No. | 31288-32-1 |
|---|---|
| Molecular formula | C6H5ClO2 |
| Average molar mass | 144.55 g/mol |
| Monoisotopic mass | 143.99780708 g/mol |
| SMILES | Oc1cccc(O)c1Cl |
| InChIKey | SWZVJOLLQTWFCW-UHFFFAOYSA-N |
| PubChem CID | 80331 |
| ChEMBL | CHEMBL2332774 |
| EC No. | 228-256-0 |
| DTXSID | DTXSID00953325 |
Chemical & Physical Properties
| XLogP | 1.9 |
|---|---|
| Topological polar surface area | 40.5 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 87.1 |
| Melting point | 94-99 °C |
| Boiling point | 244.1±20.0 °C(Predicted) |
| Density | 1.471±0.06 g/cm3(Predicted) |
| Storage conditions | Inert atmosphere,Room Temperature |
| Physical state | powder |
| pKa (acidity coefficient) | 7.98±0.10(Predicted) |
| Appearance | Light brown to yellow Solid |
| InChI | 1S/C6H5ClO2/c7-6-4(8)2-1-3-5(6)9/h1-3,8-9H |
| InChIKey | SWZVJOLLQTWFCW-UHFFFAOYSA-N |
| SMILES | Oc1cccc(O)c1Cl |
| CAS DataBase Reference | 6201-65-6(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| GHS pictogram | GHS05,GHS07 |
| Signal word | Danger |
| GHS hazard statements | H302-H315-H318-H335 |
| GHS precautionary statements | P261-P280-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xn |
| Risk statements (R) | 22-37/38-41-52/53 |
| Safety statements (S) | 26-36/37/39-61 |
| Water hazard class (WGK) | 3 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
Safety & Regulations
| GHS classification | DangerH302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.5%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| Risk statements (R) | 22-37/38-41-52/53 |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS07 |
| Hazard symbols | Xn |
| Safety statements (S) | 26-36/37/39-61 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H302-H315-H318-H335 |
| Hazard class | Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| GHS precautionary statements | P261-P280-P305+P351+P338 |
Applications & Uses
Uses
2-Chlororesorcinol is a phenolic derivative and can be used as a pharmaceutical intermediate for pharmaceutical synthesis and research.