Trifluoroacetohydrazide

HCID 229753CAS 1538-08-5

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: NNC(=O)C(F)(F)F
InChIKey: OFUCCBIWEUKISP-UHFFFAOYSA-N
Summenformel: C2H3F3N2O
Durchschnittliche Molmasse: 128,05 g/mol
Monoisotopische Masse: 128,01974738

Namen und Bezeichner

Bevorzugter Name: Trifluoroacetohydrazide
IUPAC: 2,2,2-trifluoroacetohydrazide
Englischer Name: Trifluoroacetic acid hydrazide
Summenformel: C2H3F3N2O
Molmasse: 128.05

Namen und Synonyme

TRIFLUOROACETOHYDRAZIDERefChem:899578671-964-32,2,2-trifluoroacetohydrazide1538-08-5Trifluoroacetic acid hydrazideMFCD00221440C2H3F3N2ONSC-23683TRIFLUOROACETYL HYDRAZIDEAcetic acid, trifluoro-, hydrazideTrifluoroaceticaceticacid hydrazide

Weitere Namen anzeigen

uoroacetohydrazideTrifluoroacetyl hydrazineHydrazine trifluoroacetate46 Tri-FluoroacetylhydrazineTrifluoroacetohydrazide, tech1,3-bis(4-nitrophenyl)-2-propanone2,2,2-Trifluoroacetohydrazide 95%

NSC23683trifluoroacethydrazideCF3CONHNH2(Trifluoroacetyl)hydrazineY6KG7L6PLCN-(trifluoroacetyl)hydrazineSCHEMBL181090trifluoro acetic acid hydrazide

Datenbank-Bezeichner

CAS: 1538-08-5
PubChem CID: 229753
DTXSID: DTXSID10281969
UNII: Y6KG7L6PLC
EC Number: 671-964-3
Nikkaji: J1.903.496H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,1
Polarare Oberfläche (TPSA): 55,1 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 97,9

Physikochemische Eigenschaften

Schmelzpunkt: 111 °C · 111 °C
Siedepunkt: 84 · 84-86 °C(Press: 14 Torr)
Dichte: 1.462 · 1.462±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
Aggregatzustand: solid
pka: 9.47 · 9.47±0.20(Predicted)
Farbe: White

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

Sicherheitsdaten

hs_code: 2916199590
risk_code: 36/37/38
safety_code: 26-36/37/39

Chemie und Industrie

Anwendungen

VerwendenTrifluoroacetic acid hydrazide is used in chemical synthesis applications. It is used in the preparation of sitagliptin intermediates, pyridazinone derivatives and fluoronitrocarboxylic acid hydrazides, among other organic compounds.