S-Acetylthioglycolic acid pentafluorophenyl ester

HCID 3569623

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Grundinformationen

CAS: 129815-48-1
Standard-SMILES: CC(=O)SCC(=O)Oc1c(F)c(F)c(F)c(F)c1F
InChIKey: VAVNEUKAWUEHAG-UHFFFAOYSA-N
Summenformel: C10H5F5O3S
Durchschnittliche Molmasse: 300,2 g/mol
Monoisotopische Masse: 299,98795612

Namen und Bezeichner

Bevorzugter Name: S-Acetylthioglycolic acid pentafluorophenyl ester
IUPAC: (2,3,4,5,6-pentafluorophenyl) 2-acetylsulfanylacetate
Englischer Name: S-Acetylthioglycolic acid pentafluorophenyl ester
Summenformel: C10H5F5O3S
Molmasse: 300.2

Namen und Synonyme

129815-48-1S-Acetylthioglycolic acid pentafluorophenyl esterPerfluorophenyl 2-(acetylthio)acetate(2,3,4,5,6-pentafluorophenyl) 2-acetylsulfanylacetateC10H5F5O3SMFCD00276401pentafluorophenyl (acetylsulfanyl)acetateAcetic acid, (acetylthio)-, pentafluorophenyl esterSCHEMBL714049DTXSID40393741VAVNEUKAWUEHAG-UHFFFAOYSA-NAcetic acid, 2-(acetylthio)-, 2,3,4,5,6-pentafluorophenyl ester

Weitere Namen anzeigen

SAMA-OPFPSAMA-OPfp NovabiochemPENTAFLUOROPHENYL (ACETYLTHIO)ACETATEPENTAFLUOROPHENYL S-ACETYLTHIOGLYCOLATE(Acetylthio)acetic acid pentafluorophenyl esterS-Acetylthioglycolic acid pentafluorophenyl ester≥ 98% (HPLC)

AKOS024386364pentafluorophenyl S-acetylmercaptoacetateDB-255927CS-0334544ST51037504G84837acetylsulfanyl-acetic acid pentafluorophenyl ester2,3,4,5,6-pentafluorophenyl 2-acetylthioacetate

Datenbank-Bezeichner

CAS: 129815-48-1
PubChem CID: 3569623
DTXSID: DTXSID40393741
EC Number: 624-339-4
Nikkaji: J1.552.085J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 68,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 9
Frei drehbare Bindungen: 5
Schwere Atome: 19
Formalladung: 0
Komplexität: 340

Physikochemische Eigenschaften

Schmelzpunkt: 45 · 45-49 °C
storage temp.: 2 · 2-8°C
Aggregatzustand: powder
BRN: 8073766 · 8073766
InChI: 1S/C10H5F5O3S/c1-3(16)19-2-4(17)18-10-8(14)6(12)5(11)7(13)9(10)15/h2H2,1H3
InChIKey: VAVNEUKAWUEHAG-UHFFFAOYSA-N
SMILES: CC(=O)SCC(=O)Oc1c(F)c(F)c(F)c(F)c1F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): 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 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2930 90 98
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

VerwendenS-ACETYLTHIOGLYCOLIC ACID PENTAFLUOROPHENYL ESTER is used for linking synthetic peptide antigens to MAP core peptides or carrier proteins for the purpose of raising antibodies.