CAS 767609-14-3 1-(2,2-Difluoroethyl)piperazine (HCID 19622797)

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Basic information

CAS: 767609-14-3
Standard SMILES: FC(F)CN1CCNCC1
InChIKey: JIARBLBYLGYCBZ-UHFFFAOYSA-N
Molecular formula: C6H12F2N2
Average molar mass: 150.17 g/mol

Names & identifiers

Preferred name: 1-(2,2-Difluoroethyl)piperazine
IUPAC: 1-(2,2-difluoroethyl)piperazine
English name: Piperazine, 1-(2,2-difluoroethyl)- (9CI)
Molecular formula: C6H12F2N2
Molecular weight: 150.17

Names & synonyms

1-(2,2-difluoroethyl)piperazine767609-14-3RefChem:420246817-319-3MFCD086965071-(2,2-Difluoro-ethyl)-piperazine 2HClPiperazine, 1-(2,2-difluoroethyl)- (9CI)(2,2-difluoroethyl)piperazineSCHEMBL1993991SCHEMBL4541313YQF18621-(2,2-difluoro-ethyl)piperazine

Show more names

Piperazine,1-(2,2-difluoroethyl)-1-(2,2-Difluoroethyl)piperazine - [D92528]

1-(2,2-difluoro-ethyl)-piperazineSBB024271STK352659AKOS0003139241-(2,2-Difluoroethyl)piperazine 95%NCGC00339733-01PS-11847SY276964

Database identifiers

CAS: 767609-14-3
PubChem CID: 19622797
EC Number: 817-319-3

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 91.7

Physicochemical properties

Boiling point: 173.6 · 173.6±40.0 °C(Predicted)
Density: 1.054 · 1.054±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: 8.94 · 8.94±0.10(Predicted)
form: liquid
color: Colourless to light yellow
InChI: InChI=1S/C6H12F2N2/c7-6(8)5-10-3-1-9-2-4-10/h6,9H,1-5H2
InChIKey: JIARBLBYLGYCBZ-UHFFFAOYSA-N
SMILES: N1(CC(F)F)CCNCC1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332
Precautionary statements: 271 · P271-P280
HS Code: 2933599590 · 2933599590

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.