Dibenzylazodicarboxylat
1,2-Bis(phenylmethyl) 1,2-diazenedicarboxylate
Grundinformationen
- CAS
2449-05-0- Standard-SMILES
O=C(N=NC(=O)OCc1ccccc1)OCc1ccccc1- InChIKey
IRJKSAIGIYODAN-UHFFFAOYSA-N- Summenformel
- C16H14N2O4
- Durchschnittliche Molmasse
- 298,29 g/mol
- Monoisotopische Masse
- 298,09535693
Namen und Bezeichner
- Bevorzugter Name
- 1,2-Bis(phenylmethyl) 1,2-diazenedicarboxylate
- IUPAC
- benzyl N-phenylmethoxycarbonyliminocarbamate
- Lokaler Name
- Dibenzylazodicarboxylat
- Englischer Name
- Dibenzyl azodicarboxylate
- Summenformel
- C16H14N2O4
- Molmasse
- 298.29
Namen und Synonyme
2449-05-0RefChem:4114061,2-Bis(phenylmethyl) 1,2-diazenedicarboxylateDibenzyl azodicarboxylatedibenzyl diazene-1,2-dicarboxylateDBADMFCD00016737Azodicarboxylic Acid Dibenzyl EsterDTXSID3044887952229-16-21,2-Diazenedicarboxylic acid, 1,2-bis(phenylmethyl) esterDibenzylazodicarboxylate
Weitere Namen anzeigen
DZAD(E)-dibenzyl diazene-1,2-dicarboxylateDibenzyl azodicarboxMinocycline Impurity 49Dibenzy| azodicarbo×ylateBis(benzyloxycarbonyl)diazene
Diazenedicarboxylic Acid Bis(phenylmethyl) Ester; Azodi-Formic Acid Dibenzyl Ester ; Dibenzyl Azodicarboxylate; NSC 620564benzyl N-benzyloxycarbonyliminocarbamatephenylmethyl {[benzyloxycarbonyl]diazenyl}formatebenzyl N-phenylmethoxycarbonyliminocarbamatedibenzylazodicarboxylate,98%SCHEMBL602246SCHEMBL602247CHEMBL3182293
Datenbank-Bezeichner
- CAS
2449-05-0- PubChem CID
- 75557
- DTXSID
DTXSID3044887- ChEMBL
CHEMBL3182293- EC Number
- 219-508-0
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,9
- Polarare Oberfläche (TPSA)
- 77,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 350
Physikochemische Eigenschaften
- Schmelzpunkt
- 43 · 43-47 °C (lit.)
- Siedepunkt
- 439.72 °C · 439.72°C (rough estimate)
- Dichte
- 1.2028 · 1.2028 (rough estimate)
- Brechungsindex
- 1.624 · 1.6240 (estimate)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- Crystalline Powder
- Farbe
- Yellow to orange
- BRN
- 2298734 · 2298734
- InChI
- InChI=1S/C16H14N2O4/c19-15(21-11-13-7-3-1-4-8-13)17-18-16(20)22-12-14-9-5-2-6-10-14/h1-10H,11-12H2
- InChIKey
- IRJKSAIGIYODAN-ISLYRVAYSA-N
- SMILES
- N(C(OCC1=CC=CC=C1)=O)=NC(OCC1=CC=CC=C1)=O
- CAS Datenbank
- 2449 · 2449-05-0(CAS DataBase Reference)
- EPA chemische Informationen
- Diazenedicarboxylic acid, bis(phenylmethyl) ester (2449-05-0)
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 51 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
1,2-Diazenedicarboxylic acid, 1,2-bis(phenylmethyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Diazenedicarboxylic acid, 1,2-bis(phenylmethyl) ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 01-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21848
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 3224
- hs_code
- 29270000
- risk_code
- 36/37/38-11
- hazard_code
- Xi,F
- safety_code
- 26-37/39-16
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2020: 15,517 lb
Consumer UsesIntermediate
Industry UsesIntermediate
General Manufacturing Information
Pharmaceutical and Medicine Manufacturing
1,2-Diazenedicarboxylic acid, 1,2-bis(phenylmethyl) ester: ACTIVE
Anwendungen
VerwendenDibenzyl azodicarboxylate is a reagent used in the synthesis of Minocycline-d6 (M344797). Minocycline-d6 is a labeled second generation tetracycline antibiotic. Antibacterial.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
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