Thallium(III) trifluoroacetate

TTFA · (TFA)3TL · THALLIC TRIFLUOROACETATE · THALLIUM TRIFLUOROACETATE · THALLIC TRIFLUOROACETATE, TECH · Tris(trifluoroacetato)thallium · Thallium(III) trifluoroacetate · TRIFLUOROACETIC ACID THALLICSALT

https://huagongshe.com/ko/chemical/90200

식별자 및 물리적 특성

CAS No.	23586-53-0
분자식	C6F9O6Tl
평균 분자량	543.43 g/mol
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
PubChem CID	90200
EC No.	245-761-1

화학 및 물리적 성질

극성 표면적	120
수소 결합 공여자 수	0
수소 결합 수용자 수	15
회전 가능 결합 수	0
무거운 원자 수	22
형식 전하	0
복잡도	77.9
물질 분류	Metals -> Organic Acids, Metal Salts
Physical Description	Solid hygroscopic massDecomposed by water[Alfa Aesar MSDS]
녹는점	213 °C (dec.) (lit.)
저장 조건	2-8°C
물리적 상태	고운 가루
색상	약간 베이지색~베이지색
용해도	물에 용해됩니다(분해됨).
InChI	1S/3C2HF3O2.Tl/c33-2(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
EPA	Acetic acid, trifluoro-, thallium(3+) salt (23586-53-0)

화학적 성질

slightly beige to beige fine powder

안전 및 규제

GHS 분류	DangerH300 (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.
유해성 요약	An irritantHighly toxic by ingestion and inhalation[Alfa Aesar MSDS] See Sodium fluoroacetate. See Thallium and the linked occupational disease.
Hazard Classes and Categories	Acute Tox. 2 (100%)
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)
유해 작용	Neurotoxin - Sensorimotor
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
운송 번호(UN)	UN 1707 6.1/PG 2
관세 코드	29152900
위험 문구(R)	26/28-33-51/53
위험 표시	T+,N,T
안전 문구(S)	13-28-45-61
포장분류	II
위험 등급	6.1Acute Tox. 2 InhalationAcute Tox. 2 OralAquatic Chronic 2STOT RE 2
F 고인화성물질	3-10-23
위험 참고 사항	Toxic
저장 분류	6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

용도

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