HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 78205Erstellt: 27. Oktober 2026
4-Nitrobenzylchlorformiat
PNZ-Cl · P-NITROBENZYL CHLOROFORMATE · 4-Nitrobenzyl carbonochloridate · PNBCF · P-Nitrobenzyl · Acid-p-benzyl · Nitrobenzyl chloroforMat · Nitrobenzyl chloroformate
https://huagongshe.com/de/chemical/78205
Identifikatoren & physikalische Daten
| CAS No. | 4457-32-3 |
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| Summenformel | C8H6ClNO4 |
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| Durchschnittliche Molmasse | 215,59 g/mol |
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| Monoisotopische Masse | 214,99853535 g/mol |
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| SMILES | O=C(Cl)OCc1ccc([N+](=O)[O-])cc1 |
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| InChIKey | MHSGOABISYIYKP-UHFFFAOYSA-N |
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| PubChem CID | 78205 |
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| EC No. | 224-708-6 |
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| DTXSID | DTXSID6063482 |
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| Lokaler Name | 4-Nitrobenzylchlorformiat |
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Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
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| Polarare Oberfläche (TPSA) | 72,1 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 220 |
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| Schmelzpunkt | 32-34 °C(lit.) |
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| Siedepunkt | 230°C 10mm |
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| Dichte | 1.4928 (rough estimate) |
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| Brechungsindex | 1.552-1.556 |
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| Flammpunkt | >230 °F |
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| Lagerbedingungen | 2-8°C |
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| Löslichkeit | Acetonitrile (Slightly), Chloroform (Slightly) |
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| Aggregatzustand | powder to crystal |
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| Farbe | White to Light yellow |
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| BRN | 912446 |
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| Stabilität | Stable, but moisture-sensitive. May develop pressure in storage. Incompatible with moisture, strong bases, alcohols, amines, acids. |
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| Hauptanwendungen | peptide synthesis |
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| InChI | 1S/C8H6ClNO4/c9-8(11)14-5-6-1-3-7(4-2-6)10(12)13/h1-4H,5H2 |
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| InChIKey | MHSGOABISYIYKP-UHFFFAOYSA-N |
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| SMILES | [O-][N+](=O)c1ccc(COC(Cl)=O)cc1 |
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| CAS Datenbank | 4457-32-3(CAS DataBase Reference) |
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| NIST chemische Informationen | Carbonochloridic acid, (4-nitrophenyl)methyl ester(4457-32-3) |
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| EPA chemische Informationen | Carbonochloridic acid, (4-nitrophenyl)methyl ester (4457-32-3) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | Status: Active Update: 07-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27222 |
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| Hazard Classes and Categories | Skin Corr. 1B (100%) |
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| F | 3-4.9 |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| UN-Transportnummer | UN 3261 8/PG 2 |
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| Zollcode | 29159000 |
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| R-Sätze (R) | 34-37-23/24/25-36/37 |
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| Gefahrensymbole | C,T |
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| hazard_note | Corrosive/Toxic/Moisture Sensitive |
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| Sicherheitshinweise (S) | 26-36/37/39-45-38-28A-27 |
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| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1BSTOT SE 3 |
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| Verpackungsgruppe | III |
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| Lagerklasse | 8A - Combustible corrosive hazardous materials |
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