CAS 13257-51-7 Mercury bis(trifluoroacetate) (HCID 2723924)

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Basic information

CAS: 13257-51-7
Standard SMILES: O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[Hg+2]
InChIKey: WMHOESUUCMEQMS-UHFFFAOYSA-L
Molecular formula: C4F6HgO4
Average molar mass: 426.62 g/mol
Monoisotopic mass: 427.9407208

Names & identifiers

Preferred name: Mercury bis(trifluoroacetate)
IUPAC: mercury(2+);bis(2,2,2-trifluoroacetate)
English name: Mercuric trifluoroacetate
Molecular formula: C4F6HgO4
Molecular weight: 426.62

Names & synonyms

13257-51-7Mercury(II) trifluoroacetateMercury bis(trifluoroacetate)Bis(trifluoroacetato)mercuryEINECS 236-250-4DTXSID60157645RefChem:156589DTXCID3080136236-250-4Mercuric trifluoroacetatemercury(2+);2,2,2-trifluoroacetatebis[(2,2,2-trifluoroacetyl)oxy]mercury

Show more names

MERCURY BISTRIFLUOROACETATEBIS(TRIFLUOROACETOXY)MERCURYMercuric trifluoroacetate,98%TRIFLUOROACETIC ACID MERCURY IIMercury(II) trifluoroacetate 98%MERCURY(II) TRIFLUOROACETATE 98+%Mercury(II) bis(trifluoroacetate)Bis(trifluoroacetoxy) mercury(II)

mercury(ii)trifluoroacetateC4F6HgO4Hg(OCOCF3)2Hg(O2CCF3)2mercury (II) trifluoroacetateSCHEMBL641947mercuric;2,2,2-trifluoroacetateMERCURY bis-TRIFLUOROACETATE

Database identifiers

CAS: 13257-51-7
PubChem CID: 2723924
DTXSID

Properties

Computed structural properties

Topological polar surface area: 80.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 10
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 77.9

Physicochemical properties

Melting point: 171 · 171-173 °C(lit.)
storage temp.: 30 °C · Store below +30°C.
solubility: sol THF, DME, dioxane; insol hexane
form: Crystalline
color: White
Water Solubility: soluble
Sensitive: Hygroscopic
BRN: 3633860 · 3633860
Exposure limits: 10 mg/m3; · NIOSH: IDLH 10 mg/m3; TWA 0.05 mg/m3; Ceiling 0.1 mg/m3
InChI: 1S/2C2HF3O2.Hg/c2*3-2(4,5)1(6)7;/h2*(H,6,7);/q;;+2/p-2
InChIKey: WMHOESUUCMEQMS-UHFFFAOYSA-L
SMILES: FC(F)(F)C(=O)O[Hg]OC(=O)C(F)(F)F
CAS DataBase Reference: 13257 · 13257-51-7(CAS DataBase Reference)
UNSPSC Code: 12352300 · 12352300
NACRES: 23 · NA.23
Symbol(GHS): 6 · GHS06,GHS08,GHS09

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]

P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P319, P320, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationMercury (II) trifluoroacetate: HSNO Approval: HSR004553 Approved with controls

Hazard Classes and CategoriesAcute Tox. 2 (100%)

Safety & protection

Protective Action Criteria (PAC) · 3 items

0.0037 [ppm]

0.25 [ppm]

0.50 [ppm]

Safety data

F: 3-21
PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 2025 6.1/PG 2
hs_code: 29159080
risk_code: 26/27/28-33-50/53-50-28
Signal word: Danger
Symbol(GHS): GHS06,GHS08,GHS09
hazard_code: T+,N,T
hazard_note: Toxic

Chemistry & industry

Applications

UsesMercuric Trifluoroacetate can be used to prepare shrinkage-reducing polycarboxylic acid water reducer for concrete.

Preparation methods

PreparationMercuric trifluoroacetate can be prepared from Mercury(II) Oxide in Trifluoroacetic Acid or generated in situ from Mercury(II) Acetate and CF3CO2H.