HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6-Chloro-m-anisidine
Eramod Impurity 5 · 2-Chloro-5-methoxyan · 2-CHLORO-M-ANISIDINE · 6-Chloro-m-anisidine · 2-Chloro-5-anisidine · 2-Chloro-5-methoxyani · 3-AMINO-4-CHLOROANISOLE · 2-Chloro-5-Methxyaniline
Identifikatoren & physikalische Daten
| CAS No. | 2401-24-3 |
|---|---|
| Summenformel | C7H8ClNO |
| Durchschnittliche Molmasse | 157,6 g/mol |
| Monoisotopische Masse | 157,0294416 g/mol |
| SMILES | COc1ccc(Cl)c(N)c1 |
| InChIKey | GBOUQGUQUUPGLO-UHFFFAOYSA-N |
| PubChem CID | 75460 |
| EC No. | 219-277-6 |
| DTXSID | DTXSID70178745 |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 110 |
| Schmelzpunkt | 207 °C (dec.)(lit.) |
| Siedepunkt | 135-137°C 12mm |
| Dichte | 1.261 g/mL at 25 °C |
| Brechungsindex | 1.5848 |
| Flammpunkt | 135-137°C/12mm |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | powder to lump to clear liquid |
| pKa (Säurekonstante) | 2.23±0.10(Predicted) |
| Farbe | White or Colorless to Yellow to Orange |
| Löslichkeit | Slightly soluble in water. |
| BRN | 2082193 |
| InChI | InChI=1S/C7H8ClNO/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3 |
| InChIKey | GBOUQGUQUUPGLO-UHFFFAOYSA-N |
| SMILES | C1(N)=CC(OC)=CC=C1Cl |
| CAS Datenbank | 2401-24-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (14.9%): Toxic if swallowed [Danger Acute toxicity, oral]H302 (85.1%): Harmful if swallowed [Warning Acute toxicity, oral]H311 (14.9%): Toxic in contact with skin [Danger Acute toxicity, dermal]H312 (85.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (87.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H373 (10.6%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, 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 7 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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (14.9%)Acute Tox. 4 (85.1%)Skin Irrit. 2 (97.9%)Eye Irrit. 2 (97.9%)STOT SE 3 (87.2%)STOT RE 2 (10.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2811 |
| Zollcode | 2922290090 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xi,T,Xn |
| Sicherheitshinweise (S) |
Anwendungen & Verwendung
Verwenden
2-Chloro-5-methoxyaniline is used in the preparation of 4-amino-5-chloro-2-methoxyphenyl thiocyanate.