HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Chloro-5-methoxybenzoic acid
Benzoicacid,3-chloro-5-Methoxy · 3-Chloro-5-methoxy-benzoic acid · 3-Chloro-5-methoxybenzoic acid 97% · 3-Chloro-5-methoxy-benzoic acid≥ 97% (GC) · 3-Carboxy-5-chloroanisole, 5-Chloro-m-anisic acid
Identifikatoren & physikalische Daten
| CAS No. | 82477-67-6 |
|---|---|
| Summenformel | C8H7ClO3 |
| Durchschnittliche Molmasse | 186,59 g/mol |
| Monoisotopische Masse | 186,00837176 g/mol |
| SMILES | COc1cc(Cl)cc(C(=O)O)c1 |
| InChIKey | RRVHCVOVXPMKGF-UHFFFAOYSA-N |
| PubChem CID | 12909341 |
| EC No. | 627-313-0 |
| DTXSID | DTXSID00512714 |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 172 |
| Schmelzpunkt | 172-176 °C |
| Siedepunkt | 323.1±22.0 °C(Predicted) |
| Dichte | 1.352±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | powder |
| pKa (Säurekonstante) | 3.71±0.10(Predicted) |
| Farbe | Off white (hint of dark cream & peach) |
| InChI | 1S/C8H7ClO3/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4H,1H3,(H,10,11) |
| InChIKey | RRVHCVOVXPMKGF-UHFFFAOYSA-N |
| SMILES | COc1cc(Cl)cc(c1)C(O)=O |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (89.4%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (89.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2811 6.1/PG 3 |
| Zollcode | 29163990 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36/37 |
| Gefahrenklasse | 6.1Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | Ⅲ |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
3-chloro-5-methoxybenzoic acid