Trifluoroacetohydrazide

HCID 229753

Notes Reactions

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Basic information

CAS: 1538-08-5
Standard SMILES: NNC(=O)C(F)(F)F
InChIKey: OFUCCBIWEUKISP-UHFFFAOYSA-N
Molecular formula: C2H3F3N2O
Average molar mass: 128.05 g/mol
Monoisotopic mass: 128.01974738

Names & identifiers

Preferred name: Trifluoroacetohydrazide
IUPAC: 2,2,2-trifluoroacetohydrazide
English name: Trifluoroacetic acid hydrazide
Molecular formula: C2H3F3N2O
Molecular weight: 128.05

Names & synonyms

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

Show more names

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

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

Database identifiers

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

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 97.9

Physicochemical properties

Melting point: 111 °C · 111 °C
Boiling point: 84 · 84-86 °C(Press: 14 Torr)
Density: 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
form: solid
pka: 9.47 · 9.47±0.20(Predicted)
color: White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HS Code: 2916199590 · 2916199590

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

Safety data

hs_code: 2916199590
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Applications

UsesTrifluoroacetic 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.