HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Amino-2-chlorophenol
4-AMINO-2-CHLOROPHENOL · 2-CHLORO-4-AMINOPHENOL · 2 CAP · 4-Amino-2-chL · TIMTEC-BB SBB004136 · 3-Chloro-4-hydroxyan · 2-Chloro-4-aminopheno · 2-Chloro-p-aminophenol
Identifikatoren & physikalische Daten
| CAS No. | 3964-52-1 |
|---|---|
| Summenformel | C6H6ClNO |
| Durchschnittliche Molmasse | 143,57 g/mol |
| Monoisotopische Masse | 143,01379149 g/mol |
| SMILES | Nc1ccc(O)c(Cl)c1 |
| InChIKey | ZYZQSCWSPFLAFM-UHFFFAOYSA-N |
| PubChem CID | 77578 |
| ChEMBL | CHEMBL4079998 |
| EC No. | 609-733-6 |
| DTXSID | DTXSID10192743 |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 99,1 |
| Schmelzpunkt | 150-153 °C(lit.) |
| Siedepunkt | 292.7±25.0 °C(Predicted) |
| Dichte | 1.406±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 8.75±0.18(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Dark Brown |
| Stabilität | Stable. Incompatible with strong oxidizing agents. |
| InChI | InChI=1S/C6H6ClNO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H,8H2 |
| InChIKey | ZYZQSCWSPFLAFM-UHFFFAOYSA-N |
| SMILES | C1(O)=CC=C(N)C=C1Cl |
| CAS Datenbank | 3964-52-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Commission Regulation No 844/2012 |
| Hazard Classes and Categories | Acute Tox. 4 (97.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29222900 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
4-Amino-2-chlorophenol may be used in the synthesis of the following compounds:N-(3-chloro-4-hydroxyphenyl)-N′,N′-dimethylurea1,4-diketo-3-((4-[N-(3-chloro-4-hydroxyphenyl)amino]sulfonyl)phenyl)-6-phenylpyrrolo[3,4-c]pyrrole, a novel fluorescent pH-indicator4-(4-aminophenoxy)-N-(4-(4-aminophenoxy) benzylidene)-3-chloroaniline 4-(4-amino-3-methylphenoxy)-N-(4-(4-amino-3-methylphenoxy)benzylidene)-3-chloroaniline4-(4-amino-2-methylphenoxy)-N-(4-(4-amino-2-methylphenoxy)benzylidene)-3-chloroaniline