HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Fluorocatechol
3-FLUOROBENZENE-1,2-DIOL · 3-FLUOROCATECHOL · 3-Fluorocatechol>3-Fluorocatechol,99% · 3-Fluorocatechol 99% · Guaiacol Impurity 45 · 3-FLUOROCATECHOL 98+% · 3-Fluoro-1,2-benzenediol · 3-Fluorobenznen-1,2-diol
Identifikatoren & physikalische Daten
| CAS No. | 363-52-0 |
|---|---|
| Summenformel | C6H5FO2 |
| Durchschnittliche Molmasse | 128,1 g/mol |
| Monoisotopische Masse | 128,02735756 g/mol |
| SMILES | Oc1cccc(F)c1O |
| InChIKey | DXOSJQLIRGXWCF-UHFFFAOYSA-N |
| PubChem CID | 67764 |
| ChEMBL | CHEMBL1230120 |
| ChEBI | CHEBI:39876 |
| EC No. | 609-233-8 |
| DTXSID | DTXSID50189839 |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 40,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 97 |
| Schmelzpunkt | 71-73 °C (lit.) |
| Siedepunkt | 218.4±20.0 °C(Predicted) |
| Dichte | 1.5140 |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 8.54±0.10(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | Light beige to light brown-gray |
| BRN | 2436074 |
| InChI | InChI=1S/C6H5FO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H |
| InChIKey | DXOSJQLIRGXWCF-UHFFFAOYSA-N |
| SMILES | C1(C(F)=CC=CC=1O)O |
| CAS Datenbank | 363-52-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (84.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H317 (10.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]H318 (87%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H332 (84.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: 1,2-Benzenediol, 3-fluoro- |
| Hazard Classes and Categories | Acute Tox. 4 (95.7%)Acute Tox. 4 (84.8%)Skin Corr. 1B (100%)Skin Sens. 1 (10.9%)Eye Dam. 1 (87%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29081990 |
| R-Sätze (R) | 20/21/22-34 |
| Gefahrensymbole | C,Xi |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-27-28-36/37/39-45 |
| Gefahrenklasse | 8Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
3-Fluorocatechol is a fluorinated catechol used in the preparation of synthetic humic acid as well as an intermediate in the preparation of 3-fluoroveratrole.