텐노일트라이플루오로아세톤

Thenoyltrifluoroacetone

HCID 5601CAS 326-91-0
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=C(CC(=O)C(F)(F)F)c1cccs1
InChIKey
TXBBUSUXYMIVOS-UHFFFAOYSA-N
분자식
C8H5F3O2S
평균 분자량
222.19 g/mol
단동위원소 질량
221.99623506

개요

Thenoyltrifluoroacetone is a chelating agent and inhibitor of cellular respiration.

이름 및 식별자

우선 이름
Thenoyltrifluoroacetone
IUPAC
4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione
현지명
텐노일트라이플루오로아세톤
영어명
Thenoyltrifluoroacetone
분자식
C8H5F3O2S
분자량
222.18

이름 및 동의어

2-Thenoyltrifluoroacetone326-91-0THENOYLTRIFLUOROACETONE4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione1,3-Butanedione, 4,4,4-trifluoro-1-(2-thienyl)-alpha-Thenoyltrifluoroacetone4,4,4-Trifluoro-1-(2-thienyl)-1,3-butanedionePerfluoroacetyl(2-thenoyl)methane1-Thenoyl-3,3,3-trifluoroacetone1,1,1-Trifluoro-3-(2-thenoyl)acetoneTTFA cpdTrifluorothienylacetone
이름 더 보기
텐노일트라이플루오로아세톤2-Theonyltrifluoroacetone2-(4,4,4-TRIFLUOROACETOACETYL)THIOPHENE2-ThenoyLAKOS B010015AKOS MSC-0329TTA (extractant)
MYQ9MNW7NIDTXSID1059812NSC-66544RefChem:897608DTXCID0038542206-316-7ttfaMFCD00005445

데이터베이스 식별자

CAS
326-91-0
PubChem CID
5601
DTXSID
DTXSID1059812
ChEMBL
CHEMBL1236433
UNII
MYQ9MNW7NI
EC Number
206-316-7
Nikkaji
J139.250F

물성

구조 계산 물성

XLogP
2.2
극성 표면적
62.4 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
3
무거운 원자 수
14

실험 및 물리화학적 성질

Chemical ClassesOther Uses -> Chelating Agents
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesBoiling point
LogP1.46
Boiling Point96-98 °C at 8.00E+00 mm Hg
Melting Point42.8 °C

물리화학적 성질

녹는점
40 · 40-44 °C(lit.)
끓는 점
96 · 96-98 °C8 mm Hg(lit.)
밀도
1.4373 · 1.4373 (estimate)
인화점
233 °F · 233 °F
저장 조건
2 · 2-8°C
용해도
40 · sparingly soluble in water, readily soluble in organic solvents. Distribution ratio between acidic water and benzene is about 40. In alkaline aqueous medium it exists in the enolate form, this being relatively more soluble in water. The equilibrium distribution ratio between benzene and alkaline aqueous medium (about pH 8) is about 1. In alkaline aqueous medium of pH > 9 TTA decomposes to trifluoroacetone and acetylthiophen.

화학적 성질

light yellow to beige to brown crystalline powder,

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 1.2% (1 of 80) of reports.

Warning

H315 (98.8%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 80 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information1,3-Butanedione, 4,4,4-trifluoro-1-(2-thienyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 1,3-Butanedione, 4,4,4-trifluoro-1-(2-thienyl)-: Environment tier I assessment
Hazards SummaryA skin, eye, and respiratory irritant; Harmful if ingested; Will burn if preheated; Avoid breathing dust; Toxicology information is incomplete; [MSDSonline]
Hazard Classes and CategoriesSkin Irrit. 2 (98.8%)

안전 및 보호

Protective Action Criteria (PAC) · 3건

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29349990
risk_code
36/37/38-22
hazard_code
Xi,Xn
safety_code
26-36-37/39

화학 및 산업

약리 정보

PharmacodynamicsStudies indicate that thenoyltrifluoroacetone is a potent inhibitor of carboxylesterase activity, in addition to its ability to inhibit mitochondrial complex II activity.
MeSH Pharmacological ClassificationChemicals that bind to and remove ions from solutions. Many chelating agents function through the formation of COORDINATION COMPLEXES with METALS.

용도 및 제조

UsesUsed as a chelating agent; [ChemIDplus]
General Manufacturing Information1,3-Butanedione, 4,4,4-trifluoro-1-(2-thienyl)-: ACTIVE
응용 분야 · 1건

용도Thenoyltrifluoroacetone is one of the most proved extracting agents in solventextraction analysis. It is equally suitable for the separation and selective enrichment of metal ions. 2-Thenoyltrifluoroacetone (TTFA) is an inhibitor of respiration in animals and bacteria. In animals, TTFA binds at the quinone reduction site of succinate:ubiquinone oxidoreductase (SQR; Complex II), preventing ubiquinone from binding. It inhibits NADH fumarate reductase in bacteria. TTFA also inhibits photosystem II in plants and NADH-ubiquinone oxidoreductase of the virus Vibrio cholerae, decreasing cholera toxin production. This compound is also a chelator of metals, including lanthanum, zirconium, hafnium, and neodymium. Reagent for the determination of actinides and lanthanides. 2-Thenoyltrifluoroacetone is used for the extractive spectrophotometric determination of ruthenium at ph 4.0 (acetate buffer). Thenoyltrifluoroacetone has also been used as an alternative β-diketone for in-house assay development since NTA was not, until recently, commercially available.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

관련 반응

0건
반응 기록 만들기

현재 필터 조건에 해당하는 반응 기록이 없습니다.

연결된 노트

불러오는 중…