1,1'-Carbonyl-di-(1,2,4-triazole)
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Grundinformationen
- CAS
41864-22-6- Standard-SMILES
O=C(n1cncn1)n1cncn1- InChIKey
YHNUDLCUIKMNSN-UHFFFAOYSA-N- Summenformel
- C5H4N6O
- Durchschnittliche Molmasse
- 164,13 g/mol
- Monoisotopische Masse
- 164,04465877
Namen und Bezeichner
- Bevorzugter Name
- 1,1'-Carbonyl-di-(1,2,4-triazole)
- IUPAC
- bis(1,2,4-triazol-1-yl)methanone
- Englischer Name
- 1,1'-Carbonyl-di(1,2,4-triazole)
- Summenformel
- C5H4N6O
- Molmasse
- 164.12
Namen und Synonyme
Di(1H-1,2,4-triazol-1-yl)methanone1,1'-Carbonyl-di-(1,2,4-triazole)Bis(1,2,4-triazol-1-yl)methanoneW6HUA76TYR1-(1H-1,2,4-triazole-1-carbonyl)-1H-1,2,4-triazoleMethanone, bis(1H-1,2,4-triazol-1-yl)-DTXSID80402806Bis(1H-1,2,4-triazol-1-yl)methanoneRefChem:409234DTXCID20353661634-845-741864-22-6
Weitere Namen anzeigen
CDTCarbonyldi(1,2,4-triazole)-di(1,2,4-triazoL1,1'-Carbonyl-di-(1-Carbonyl-di(1,2,4-triazole)1-Carbonyl-di(1,2,4-triazole)
1,1'-CARBONYL-DI(1,2,4-TRIAZOLE)1,1'-Carbonyldi(1,2,4-triazole)MFCD00043399C5H4N6ON,N'-Carbonyl-di-(1,2,4-triazole)1,1'-Carbonylbis(1,2,4-triazole)SY051255EN300-7399983
Datenbank-Bezeichner
- CAS
41864-22-6- PubChem CID
- 4393961
- DTXSID
DTXSID80402806- UNII
- W6HUA76TYR
- EC Number
- 634-845-7
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,1
- Polarare Oberfläche (TPSA)
- 78,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 167
Physikochemische Eigenschaften
- Schmelzpunkt
- 145 · 145-150 °C
- Siedepunkt
- 429.1 · 429.1±28.0 °C(Predicted)
- Dichte
- 1.75 · 1.75±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform (Slightly), DMSO (Sparingly, Heated)
- Aggregatzustand
- Solid
- pka
- -0.26 · -0.26±0.10(Predicted)
- Farbe
- White to Off-White
- BRN
- 10250 · 10250
- Stabilität
- Hygroscopic, Moisture Sensitive
- Major Application
- peptide synthesis
- InChI
- InChI=1S/C5H4N6O/c12-5(10-3-6-1-8-10)11-4-7-2-9-11/h1-4H
- InChIKey
- YHNUDLCUIKMNSN-UHFFFAOYSA-N
- SMILES
- C(N1C=NC=N1)(N1C=NC=N1)=O
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (75.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H361 (72.2%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]；H412 (24.1%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P203, P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P318, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 54 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Eye Dam. 1 (75.9%)；Repr. 2 (72.2%)；Aquatic Chronic 3 (24.1%)
Sicherheitsdaten
- F
- 10-21
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 63-22-41-52/53-62-61
- hazard_code
- Xn
- safety_code
- 22-26-36/37/39-61-36/39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Repr. 2
Chemie und Industrie
Anwendungen
Verwenden1,1'-Carbonyl-di(1,2,4-triazole) is used in epoxidation reactions in organic synthesis. It is useful in preparing acyl triazolides from carboxylic acids. 1'-Carbonyl-di(1,2,4-triazole) is a reagent for peptide synthesis; preparation of thiol or selenol esters.
Vor- und nachgelagerte Produkte
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Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
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