4-Nitrophenylchlorformiat
4-Nitrophenyl chloroformate
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Grundinformationen
- CAS
7693-46-1- Standard-SMILES
O=C(Cl)Oc1ccc([N+](=O)[O-])cc1- InChIKey
NXLNNXIXOYSCMB-UHFFFAOYSA-N- Summenformel
- C7H4ClNO4
- Durchschnittliche Molmasse
- 201,56 g/mol
- Monoisotopische Masse
- 200,98288529
Namen und Bezeichner
- Bevorzugter Name
- 4-Nitrophenyl chloroformate
- IUPAC
- (4-nitrophenyl) carbonochloridate
- Lokaler Name
- 4-Nitrophenylchlorformiat
- Englischer Name
- 4-Nitrophenyl chloroformate
- Summenformel
- C7H4ClNO4
- Molmasse
- 201.56
Namen und Synonyme
4-Nitrophenyl chloroformate7693-46-14-Nitrophenyl carbonochloridateChloroformic acid 4-nitrophenyl esterCarbonochloridic acid, 4-nitrophenyl esterp-Nitrophenyl chloroformate(4-nitrophenyl) carbonochloridateChloroformic acid p-nitrophenyl esterMFCD000073214-nitrophenol chloroformateFormic acid, chloro-, p-nitrophenyl ester(4-nitrophenyl) chloroformate
Weitere Namen anzeigen
PNPCFNitrophenyl chloroforMatePARA-NITROPHENYL CHLOROFORMATE4-Nitrophenyl chloridocarbonate4-NITROPHENYL CHLOROCARBONATEp-Nitrophenyl c
EINECS 231-706-9AI3-52204p-nitrophenylchloroformate4-nitrophenyl choroformate4-nitrophenyl chioroformatep-nitro-phenyl chloroformate(4-nitrophenyl)chloroformate4-nitro-phenyl chloroformate
Datenbank-Bezeichner
- CAS
7693-46-1- PubChem CID
- 82129
- DTXSID
DTXSID3064772- EC Number
- 231-706-9
- Nikkaji
- J249F
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 72,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 207
Experimentelle und physikochemische Eigenschaften
Chemical ClassesToxic Gases & Vapors -> Acid Halides
Physical DescriptionCream crystals with an acrid odor; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 77 · 77-79 °C(lit.)
- Siedepunkt
- 159 · 159-162 °C19 mm Hg(lit.)
- Dichte
- 1.5719 · 1.5719 (rough estimate)
- Brechungsindex
- 1.6 · 1.6000 (estimate)
- Flammpunkt
- 110 °C · >110°C
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Soluble in acetone, chloroform, acetone, toluene and benzene.
- Aggregatzustand
- isopropanol suspension
- Farbe
- White to yellow-beige
- Wasserlöslichkeit
- decomposes
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H314 (96.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 62 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Status: Active Update: 09-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24548
4-Nitrophenyl chloroformate: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryReacts with water; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion and inhalation; [Alfa Aesar MSDS] See CHLOROFORMATES.
Hazard Classes and CategoriesSkin Corr. 1B (96.8%)
Toxikologische Informationen
Adverse EffectsDermatotoxin - Skin burns.
Sicherheitsdaten
- F
- 19-21
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3261 8/PG 2
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationCarbonochloridic acid, 4-nitrophenyl ester: ACTIVE
Anwendungen
Verwenden4-Nitrophenyl chloroformate is used in the synthesis of poly(oxyethylene) modified dextrans. It is also used to prepare a cleavable, heterobifunctional cross-linker for reversible conjugation of amines to thiol-modified DNA. Further, it is used in the synthesis of mixed, activated carbonates, thiocarbonates and activated urethanes. In addition to this, it is used in the preparation of 4-nitrophenyl diazoacetate with diazomethane. It is an ester of chloroformic acid used in the immobilization of enzymes and other biomolecules.
Beschreibung4-Nitrophenyl chloroformate, also known as p-nitrophenyl chloroformate, is a coupling agent used in the synthesis of ureas, carbamates, and carbonates. It is also used as a building block in solid-phase peptide synthesis (SPPS) to obtain altered side chain functionalities in peptides.
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