CAS 23586-53-0 Thallium(III) trifluoroacetate (HCID 90200)

Names & identifiers

Preferred name: Thallium(III) trifluoroacetate
IUPAC: thallium(3+);tris(2,2,2-trifluoroacetate)
English name: Thallium(III) trifluoroacetate
Molecular formula: C2H2F3O2Tl
Molecular weight: 319.41

Names & synonyms

Thallium(III) trifluoroacetate23586-53-0Thallium trifluoroacetateRefChem:189096DTXCID7036901245-761-1DTXSID90669122,2,2-Trifluoroacetic acid, thallium(3+) salt (3:1)Trifluoroacetic acid thallium(III) saltAcetic acid, 2,2,2-trifluoro-, thallium(3+) salt (3:1)Thallic trifluoroacetatethallium(III)trifluoroacetate

Show more names

TTFA(TFA)3TLTHALLIC TRIFLUOROACETATE, TECHTRIFLUOROACETIC ACID THALLICSALTThallium(III)trifluoroacetate97%Thallium(III)trifluoroacetate 95%

EINECS 245-761-1C6F9O6TlTris(trifluoroacetato)thalliumSCHEMBL247993thallium tris(trifluoroacetate)Acetic acid,2,2,2-trifluoro-, thallium(3+) salt (3:1)AKOS015852671thallium(3+);2,2,2-trifluoroacetate

Database identifiers

CAS: 23586-53-0
PubChem CID: 90200
EC Number: 245-761-1
Nikkaji: J303D

Properties

Computed structural properties

Topological polar surface area: 120 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 15
Rotatable bonds: 0
Heavy atoms: 22
Formal charge: 0
Complexity: 77.9

Experimental & physicochemical properties

Chemical ClassesMetals -> Organic Acids, Metal Salts

Physical DescriptionSolid hygroscopic mass; Decomposed by water; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: 213 °C · 213 °C (dec.) (lit.)
storage temp.: 2 · 2-8°C
form: Fine Powder
color: Slightly beige to beige
Water Solubility: Soluble in water (decomposes).
Sensitive: Hygroscopic
Exposure limits: 0.02 mg/m3 · ACGIH: TWA 0.02 mg/m3 (Skin)NIOSH: IDLH 15 mg/m3; TWA 0.1 mg/m3
InChI: 1S/3C2HF3O2.Tl/c3*3-2(4,5)1(6)7;/h3*(H,6,7);/q;;;+3/p-3
InChIKey: PSHNNUKOUQCMSG-UHFFFAOYSA-K
SMILES: FC(F)(F)C(=O)O[Tl](OC(=O)C(F)(F)F)OC(=O)C(F)(F)F
CAS DataBase Reference: 23586 · 23586-53-0(CAS DataBase Reference)
EPA Substance Registry System: Acetic acid, trifluoro-, thallium(3+) salt (23586-53-0)
UNSPSC Code: 12161600 · 12161600
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06,GHS08,GHS09
Signal word: Danger
Hazard statements: 300 · H300+H330-H373-H411
Precautionary statements: 273 · P273-P301+P310+P330-P304+P340+P310-P314
Hazard Codes: T+,N,T
Risk Statements: 26 · 26/28-33-51/53
Safety Statements: 13 · 13-28-45-61
RIDADR: 1707 · UN 1707 6.1/PG 2
WGK Germany: 3 · 3
F: 3 · 3-10-23
Hazard Note: Toxic
TSCA: TSCA listed
HazardClass: 6.1 · 6.1
PackingGroup: II
HS Code: 29152900 · 29152900
Storage Class: 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: 2 InhalationAcute · Acute Tox. 2 InhalationAcute Tox. 2 OralAquatic Chronic 2STOT RE 2
Limited Quantities: 0.5 Kg · 0.5 Kg (solid)
Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

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

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryAn irritant; Highly toxic by ingestion and inhalation; [Alfa Aesar MSDS] See Sodium fluoroacetate. See Thallium and the linked occupational disease.

Hazard Classes and CategoriesAcute Tox. 2 (100%)

Safety & protection

Threshold Limit Values (TLV)0.02 [ppm], as Tl (inhalable fraction)

Permissible Exposure Limit (PEL)0.1 [ppm], as Tl

Immediately Dangerous to Life or Health (IDLH)15.0 [ppm], as Tl (soluble compounds)

Toxicology

Adverse EffectsNeurotoxin - Sensorimotor

Safety data

F: 3-10-23
wgk: 3
tsca: TSCA listed
ridadr: UN 1707 6.1/PG 2
hs_code: 29152900
risk_code: 26/28-33-51/53
Signal word: Danger
Symbol(GHS): GHS06,GHS08,GHS09
hazard_code: T+,N,T
hazard_note: Toxic
safety_code: 13-28-45-61
hazard_class: 6.1
Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
packing_group: II
Hazard statements: H300+H330-H373-H411
Limited Quantities: 0.5 Kg (solid)
Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Acute Tox. 2 InhalationAcute Tox. 2 OralAquatic Chronic 2STOT RE 2
Precautionary statements: P273-P301+P310+P330-P304+P340+P310-P314

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationAcetic acid, 2,2,2-trifluoro-, thallium(3+) salt (3:1): INACTIVE

Applications

UsesThallium(III) trifluoroacetate is an oxidizing agent used in the synthesis of S-substituted cysteine peptides and proteins containing disulfide bonds.

UsesOxidizing agent used in the synthesis of S-substituted cysteine peptides and proteins containing disulfide bonds.