HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
D-(-)threo-2-Amino-1-(p-nitrophenyl)propan-1,3-diol
(1R,2R)-2-AMINO-1-(4-NITROPHENYL)PROPANE-1,3-DIOL · ChloromycinbaseL-base · levoamine · Chloromycin base · L-amino compound · L-BASE (AMINODIOL) · chloramphenicolbase · D(-)Threo-1-(4-nitro
Identifikatoren & physikalische Daten
| CAS No. | 716-61-0 |
|---|---|
| Summenformel | C9H12N2O4 |
| Durchschnittliche Molmasse | 212,2 g/mol |
| Monoisotopische Masse | 212,07970687 g/mol |
| SMILES | N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 |
| InChIKey | OCYJXSUPZMNXEN-RKDXNWHRSA-N |
| PubChem CID | 69745 |
| ChEMBL | CHEMBL4561142 |
| ChEBI | CHEBI:78660 |
| EC No. | 211-938-7 |
| DTXSID | DTXSID80221832 |
| Lokaler Name | D-(-)threo-2-Amino-1-(p-nitrophenyl)propan-1,3-diol |
Chemische & physikalische Eigenschaften
| XLogP | -0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 112 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 211 |
| Schmelzpunkt | 163-165 °C(lit.) |
| Siedepunkt | 352.03°C (rough estimate) |
| Dichte | 1.3136 (rough estimate) |
| Brechungsindex | -30.5 ° (C=1, 6mol/L HCl) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | almost transparency in hot WaterDMSO (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 10.98±0.45(Predicted) |
| Aggregatzustand | Powder |
| Farbe | Light yellow |
| InChI | InChI=1S/C9H12N2O4/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15/h1-4,8-9,12-13H,5,10H2/t8-,9-/m1/s1 |
| InChIKey | OCYJXSUPZMNXEN-RKDXNWHRSA-N |
| SMILES | [C@H](C1=CC=C([N+]([O-])=O)C=C1)(O)[C@H](N)CO |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.3% (1 of 44) of reports.WarningH302 (93.2%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, 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 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | REACH registered substance: D-(-)threo-2-amino-1-(p-nitrophenyl)propane-1,3-diol (EC: 211-938-7)1,3-Propanediol, 2-amino-1-(4-nitrophenyl)-, (1R,2R)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (93.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3259 8/PG 3 |
| Zollcode | 29221990 |
| RTECS-Nr. | TY3100000 |
| R-Sätze (R) | 22-36/37/38-45 |
| Gefahrensymbole | Xn,T |
| Sicherheitshinweise (S) | 26-45-53-22 |
| Gefahrenklasse | 8 |
Anwendungen & Verwendung
Verwenden
D-threo-(-)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol is an impurity of Chloramphenicol (C325030), a broad spectrum antibiotic agent obtained from cultures of the soil bacterium Streptomyces venezuel ae.