2,5-bis(2,2,2-trifluoroethoxy)benzoic Acid

HCID 2736078CAS 35480-52-5
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Grundinformationen

Standard-SMILES
O=C(O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F
InChIKey
YPGYLCZBZKRYQJ-UHFFFAOYSA-N
Summenformel
C11H8F6O4
Durchschnittliche Molmasse
318,17 g/mol
Monoisotopische Masse
318,0326777

Namen und Bezeichner

Bevorzugter Name
2,5-bis(2,2,2-trifluoroethoxy)benzoic Acid
IUPAC
2,5-bis(2,2,2-trifluoroethoxy)benzoic acid
Englischer Name
2,5-Bis(2,2,2-trifluoroethoxy)benzoic acid
Summenformel
C11H8F6O4
Molmasse
318.17

Namen und Synonyme

2,5-bis(2,2,2-trifluoroethoxy)benzoic Acid35480-52-5FLECAINIDE ACIDBENZOIC ACID, 2,5-BIS(2,2,2-TRIFLUOROETHOXY)-ID4JP01L3WUNII-ID4JP01L3WDTXSID50371111EC 609-132-9FLECAINIDE ACID [USP IMPURITY]FLECAINIDE ACID (USP IMPURITY)RefChem:82697DTXCID70322145
Weitere Namen anzeigen
5-Bis(2Flecainide Impurity 1Flecainide EP Impurity D2,5-Di(2,2,2-Trifluoroethoxy)B2-trifluoroethoxy)benzoic acidFlecainide Acetate EP Impurity DFlecainide acetate impurity D (EP)2,5-Bis(2,2,2-trifluoroethoxy)benzo
609-132-92,5-bis(trifluoroethoxy)benzoic acidFlecainide IMpurity DMFCD00221424C11H8F6O4Flecainide acetate impurity DSCHEMBL9782912,5-Bis(2,2,2-trifluoroethoxy)benzoicAcid-d3

Datenbank-Bezeichner

CAS
35480-52-5
PubChem CID
2736078
DTXSID
DTXSID50371111
UNII
ID4JP01L3W
EC Number
609-132-9
Nikkaji
J3.807.594B

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,5
Polarare Oberfläche (TPSA)
55,8 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
10
Frei drehbare Bindungen
5
Schwere Atome
21

Physikochemische Eigenschaften

Schmelzpunkt
119 · 119-121°C
Siedepunkt
320.9 · 320.9±42.0 °C(Predicted)
Dichte
1.474 · 1.474±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
Löslichkeit
DMSO (Slightly), Methanol (Slightly, Heated)
pka
3.06 · 3.06±0.36(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (93%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (93%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (90.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 21-02-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/8008
Hazard Classes and CategoriesSkin Irrit. 2 (93%)；Eye Irrit. 2 (93%)；STOT SE 3 (90.7%)

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 21-02-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/8008

Sicherheitsdaten

wgk
WGK 3
hs_code
2918999090
risk_code
36/37/38
hazard_code
Xi
hazard_note
Irritant
safety_code
26-36-36/37/39

Chemie und Industrie

Anwendungen · 2 Einträge

Verwenden2,5-Bis(2,2,2-trifluoroethoxy)benzoic acid has been used in a variety of scientific research applications. It has been used as a reagent in the synthesis of organic compounds such as β-trifluoromethylbenzyl alcohols and β-trifluoromethylbenzyl chlorides. It has also been used as a catalyst in the synthesis of organic compounds such as α-trifluoromethylbenzyl alcohols and α-trifluoromethylbenzyl chlorides. Additionally, it has been used as a starting material in the synthesis of trifluoromethylated heterocyclic compounds such as thiazoles, oxazoles, and thiophenes.

VerwendenFlecainide Acetate Impurity D.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
湖北博杰生物科技有限公司0713-2060728 15629612610
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

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