CAS 6511-88-2 Trifluoroacetylpiperazine (HCID 7172020)

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Basic information

CAS: 6511-88-2
Standard SMILES: O=C(N1CCNCC1)C(F)(F)F
InChIKey: VCMQRVDQQAMQTJ-UHFFFAOYSA-N
Molecular formula: C6H9F3N2O
Average molar mass: 182.14 g/mol
Monoisotopic mass: 182.06669757

Names & identifiers

Preferred name: Trifluoroacetylpiperazine
IUPAC: 2,2,2-trifluoro-1-piperazin-1-ylethanone
English name: Piperazine, 1-(trifluoroacetyl)- (7CI,8CI,9CI)
Molecular formula: C6H9F3N2O
Molecular weight: 182.14

Names & synonyms

6511-88-2TrifluoroacetylpiperazineDTXSID60428266RefChem:386266DTXCID803791002,2,2-trifluoro-1-(piperazin-1-yl)ethanone2,2,2-trifluoro-1-(piperazin-1-yl)ethan-1-one2,2,2-trifluoro-1-piperazin-1-ylethanone1-(trifluoroacetyl)piperazineMFCD077821762,2,2-trifluoro-1-piperazin-1-yl-ethanonePiperazine, 1-(trifluoroacetyl)- (7CI,8CI,9CI)

Show more names

Ethanone, 2,2,2-trifluoro-1-(1-piperazinyl)-Piperazine, 1-(trifluoroacetyl)- (7CI,8CI,9CI) ISO 9001：2015 REACH

1-(2,2,2-Trifluoroacetyl)piperazine2,2,2-Trifluoro-1-(1-piperazinyl)ethanonePiperazine, 1-(trifluoroacetyl)-1-trifluoroacetylpiperazineSCHEMBL696750SCHEMBL1882659Trifluoroacetylpiperazine, AldrichCPR(8-bromophenyl)(cyclopropyl)methanone

Database identifiers

CAS: 6511-88-2
PubChem CID: 7172020
DTXSID: DTXSID60428266
EC Number: 674-557-9

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 174

Physicochemical properties

Melting point: 32 ℃ · 32℃
Boiling point: 273 ℃ · 273℃
Density: 1.29 · 1.290
Flash point: 119 ℃ · 119℃
pka: 7.83 · 7.83±0.10(Predicted)
form: solid
color: Yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319-H412
Precautionary statements: 501 · P501-P273-P270-P264-P280-P337+P313-P305+P351+P338-P301+P312+P330
HS Code: 2933599590 · 2933599590

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2933599590
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H319-H412
Precautionary statements: P501-P273-P270-P264-P280-P337+P313-P305+P351+P338-P301+P312+P330