Bis(p-nitrophenyl)carbonat

Bis(4-nitrophenyl) carbonate

HCID 78756CAS 5070-13-3

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Grundinformationen

Standard-SMILES: O=C(Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1
InChIKey: ACBQROXDOHKANW-UHFFFAOYSA-N
Summenformel: C13H8N2O7
Durchschnittliche Molmasse: 304,21 g/mol
Monoisotopische Masse: 304,0331506

Überblick

structure

Namen und Bezeichner

Bevorzugter Name: Bis(4-nitrophenyl) carbonate
IUPAC: bis(4-nitrophenyl) carbonate
Lokaler Name: Bis(p-nitrophenyl)carbonat
Englischer Name: BIS(4-NITROPHENYL) CARBONATE
Summenformel: C13H8N2O7
Molmasse: 304.21

Namen und Synonyme

Bis(4-nitrophenyl) carbonate5070-13-3Bis(4-nitrophenyl)carbonateBis(p-nitrophenyl) carbonate4,4'-Dinitrodiphenyl carbonateCarbonic acid, bis(4-nitrophenyl) esterp,p'-DinitrodiphenylcarbonateCarbonic acid, bis(p-nitrophenyl) ester3VR53CW8U7NSC-1730DTXSID60198755RefChem:120155

Weitere Namen anzeigen

NPC4-NITROPHENYL CARBONATEBIS(4-NITROPHENYL) CBis(4-nitrophenyl) carboteBis (4-nitropheny)carbonateNPC 4-Nitrophenyl carbonate4-NITROPHENYL CARBONATE 98%Di (p-nitrophenyl) carbonate

DTXCID20121246225-775-4Carbonic Acid Bis(4-nitrophenyl) EsterMFCD00007322C13H8N2O74-nitrophenyl (4-nitrophenoxy)formatebis (4-nitrophenyl) carbonateNSC 1730

Datenbank-Bezeichner

CAS: 5070-13-3
PubChem CID: 78756
DTXSID: DTXSID60198755
UNII: 3VR53CW8U7
EC Number: 225-775-4
Nikkaji: J126.338B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,3
Polarare Oberfläche (TPSA): 127 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 4
Schwere Atome: 22
Formalladung: 0
Komplexität: 377

Physikochemische Eigenschaften

Schmelzpunkt: 136 · 136-139 °C(lit.)
Siedepunkt: 475.9 · 475.9±30.0 °C(Predicted)
Dichte: 1.501 · 1.501±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Soluble in chloroform and tetrahydrofuran.
Aggregatzustand: Liquid
Farbe: Clear slightly yellow or greenish to brown
BRN: 1892897 · 1892897
Major Application: peptide synthesis
InChI: InChI=1S/C13H8N2O7/c16-13(21-11-5-1-9(2-6-11)14(17)18)22-12-7-3-10(4-8-12)15(19)20/h1-8H
InChIKey: ACBQROXDOHKANW-UHFFFAOYSA-N
SMILES: C(OC1=CC=C([N+]([O-])=O)C=C1)(=O)OC1=CC=C([N+]([O-])=O)C=C1
CAS Datenbank: 5070 · 5070-13-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

F: 10-21
wgk: 3
hs_code: 29209090
risk_code: 36/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2

Chemie und Industrie

Anwendungen · 2 Einträge

VerwendenBis(4-nitrophenyl) carbonate is used as a reagent for preparation of symmetrical and unsymmetrical urea and 4-nitrophenyl esters of N-protected amino acids. It acts as a peptide coupling reagent. It finds application as a reagent for the preparation of carbamate linked cytosines.

VerwendenBis(4-nitrophenyl) Carbonate is used a peptide coupling reagent and reagent for formation of carbamate linked cytosines.