2-(Trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonyl chloride
Grundinformationen
- CAS
74291-57-9- Standard-SMILES
O=C(N1CCc2ccc(S(=O)(=O)Cl)cc2C1)C(F)(F)F- InChIKey
SXIYEBVAQTUBOQ-UHFFFAOYSA-N- Summenformel
- C11H9ClF3NO3S
- Durchschnittliche Molmasse
- 327,71 g/mol
- Monoisotopische Masse
- 326,99437649
Namen und Bezeichner
- Bevorzugter Name
- 2-(Trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonyl chloride
- IUPAC
- 2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonyl chloride
- Englischer Name
- 1,2,3,4-TETRAHYDRO-2-(TRIFLUOROACETYL)ISOQUINOLINE-7-SULFONYL CHLORIDE
- Summenformel
- C11H9ClF3NO3S
- Molmasse
- 327.71
Namen und Synonyme
74291-57-92-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonyl chlorideDTXSID70462454RefChem:462454DTXCID604132732-(2,2,2-Trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonyl chloride1,2,3,4-TETRAHYDRO-2-(TRIFLUOROACETYL)ISOQUINOLINE-7-SULFONYL CHLORIDE2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonyl ChlorideMFCD01075651C11H9ClF3NO3S2-trifluoroacetyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonyl chloride2-(2,2,2-trifluoroacetyl)-1,2,3,4-tetrahydro-isoquinoline-7-sulfonyl chloride
Weitere Namen anzeigen
ethyl 2-(6-hydroxypyridin-3-yl)acetate1,2,3,4-Tetrahydro-2-(2,2,2-trifluoroacetyl)-1,2,3,4-Tetrahydro-2-(trifluoroacetyl)isoquinoline-7-sulfonTetrahydro-2-(trifluoroacetyl)isoquinoline-7-sulfonyl chloride2-(Trifluoroacetyl)-1,2,3,4-tetrahydro-7-isoquinolinesulfonyl chloride1,2,3,4-TETRAHYDRO-2-(TRIFLUOROACETYL)ISOQUINOLINE-7-SULPHONYL CHLORIDE2-Trifluoroacetyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonyl chloride, 99%7-Isoquinolinesulfonyl chloride, 1,2,3,4-tetrahydro-2-(2,2,2-trifluoroacetyl)-
1-[7-(chlorosulfonyl)(2-1,2,3,4-tetrahydroisoquinolyl)]-2,2,2-trifluoroethan-1 -one2-(trifluoroacetyl)-1,SCHEMBL490066SCHEMBL30408119SBB0259442-(2,2,2-trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonylchlorideAKOS005168311AS-36371
Datenbank-Bezeichner
- CAS
74291-57-9- PubChem CID
- 11324902
- DTXSID
DTXSID70462454- EC Number
- 616-073-2
- Nikkaji
- J2.647.679H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 62,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 488
Physikochemische Eigenschaften
- Schmelzpunkt
- 102 · 102-104°C
- Siedepunkt
- 465.6 · 465.6±45.0 °C(Predicted)
- Dichte
- 1.548 · 1.548±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -2.07 · -2.07±0.20(Predicted)
- BRN
- 5603124 · 5603124
- CAS Datenbank
- 74291 · 74291-57-9
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Sicherheitsdaten
- ridadr
- 3261
- risk_code
- 34
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- II
Chemie und Industrie
Anwendungen
Verwenden1,2,3,4-Tetrahydro-2-(trifluoroacetyl)isoquinoline-7-sulfonyl Chloride is an intermediate for the preparation of 5-heteroaryl thiazoles and their use as phosphoinositide 3-kinase (PI3K) inhibitors.
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