トリフルオロ酢酸タリウム(ＩＩＩ)

Thallium(III) trifluoroacetate

HCID 90200

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基本情報

CAS: 23586-53-0
標準SMILES: O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[Tl+3]
InChIKey: PSHNNUKOUQCMSG-UHFFFAOYSA-K
分子式: C6F9O6Tl
平均分子量: 543.43 g/mol

名称と識別子

優先名称: Thallium(III) trifluoroacetate
IUPAC: thallium(3+);tris(2,2,2-trifluoroacetate)
現地名: トリフルオロ酢酸タリウム(ＩＩＩ)
英語名: Thallium(III) trifluoroacetate
分子式: C2H2F3O2Tl
分子量: 319.41

名称と別名

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

名称をさらに表示

トリフルオロ酢酸タリウム(ＩＩＩ)トリス(トリフルオロ酢酸)タリウム(III)トリフルオロ酢酸タリウム(III)トリフルオロ酢酸タリウムﾄﾘﾌﾙｵﾛ酢酸ﾀﾘｳﾑ(3+)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

データベース識別子

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

物性

構造計算による物性

極性表面積: 120 Å²
水素結合供与体数: 0
水素結合受容体数: 15
回転可能結合数: 0
重原子数: 22
形式電荷: 0
複雑度: 77.9

実験および物理化学的性質

Chemical ClassesMetals -> Organic Acids, Metal Salts

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

物理化学的性質

融点: 213 °C · 213 °C (dec.) (lit.)
貯蔵温度: 2 · 2-8°C
外見: 微粉
色: ややベージュからベージュ
水溶解度: 水に溶ける（分解する）。
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 データベース: 23586 · 23586-53-0(CAS DataBase Reference)
EPAの化学物質情報: Acetic acid, trifluoro-, thallium(3+) salt (23586-53-0)

化学的性質

化学的特性slightly beige to beige fine powder

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

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%)

安全と保護具

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)

毒性情報

Adverse EffectsNeurotoxin - Sensorimotor

安全データ

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
安衛法: 57-2
hazard_code: T+,N,T
hazard_note: Toxic
safety_code: 13-28-45-61
hazard_class: 6.1
packing_group: II
Hazard Classifications: Acute Tox. 2 InhalationAcute Tox. 2 OralAquatic Chronic 2STOT RE 2
ストレージクラス: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

化学と産業

用途と製造

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

応用分野

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