Grundinformationen
- Standard-SMILES
Cc1ccc(S(=O)(=O)OCCN(CCOS(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1- InChIKey
VJDZYMIEDBLSDT-UHFFFAOYSA-N- Summenformel
- C25H29NO8S3
- Durchschnittliche Molmasse
- 567,7 g/mol
- Monoisotopische Masse
- 567,1055304
Namen und Bezeichner
- Bevorzugter Name
- N,N-bis(2-(p-toluenesulfonyloxy)ethyl)-p-toluenesulfonamide
- IUPAC
- 2-[(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonyloxyethyl]amino]ethyl 4-methylbenzenesulfonate
- Englischer Name
- N,N-BIS[2-(P-TOLYLSULFONYLOXY)ETHYL]-P-TOLUENESULFONAMIDE
- Summenformel
- C25H29NO8S3
- Molmasse
- 567.69
Namen und Synonyme
N,N-Bis[2-(p-tolylsulfonyloxy)ethyl]-p-toluenesulfonamideEC 412-920-3NSC 106624N,N-bis(2-(p-toluenesulfonyloxy)ethyl)-p-toluenesulfonamideN,N-Bis(2-(p-tolylsulfonyloxy)ethyl)-p-toluenesulfonamideRefChem:822125412-920-3627-486-216695-22-0(Tosylazanediyl)bis(ethane-2,1-diyl) bis(4-methylbenzenesulfonate)MFCD00026000N,N-Bis[2-(tosyloxy)ethyl]-p-toluenesulfonamide
Weitere Namen anzeigen
(Tosylazanediyl)Gadobutrol Impurity 43Gadobutrol Impurity 34Gadobutrol Impurity 116N,O,Oμ-Tritosyldiethanolaminebis(4-methylbenzenesulfonate)N,N-bis[2-(tosyloxy)ethyl]toluene-4-sulfonamideN,N-bis(2-tosyloxy)ethyl)toluene-4-*sulfonamideN,N-BIS(2-(TOSYLOXY)ETHYL)-P-TOLUENE- SULFONAMIDEN,N-bis(2-(P-tolylsulfonyloxy)ethyl)-P-toluenesul
N-tosyl-bis(2-tosyloxyethyl)amineN,O,O?-Tritosyldiethanolamine2-[(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonyloxyethyl]amino]ethyl 4-methylbenzenesulfonateNSC-1066244-methyl-N,N-bis[2-[[(4-methylphenyl)sulfonyl]oxy]ethyl]benzenesulfonamideGadobutrol Impurity 9N,N-Bis[2-(p-tolylsulfonyloxy)ethyl]-p-toluenesulfonamide, 97%2-(N-{2-[(4-methylbenzenesulfonyl)oxy]ethyl}-4-methylbenzenesulfonamido)ethyl 4-methylbenzene-1-sulfonate
Datenbank-Bezeichner
- CAS
16695-22-0- PubChem CID
- 267409
- DTXSID
DTXSID20295976- UNII
- 75DU3QT8T6
- EC Number
- 412-920-3、627-486-2
- Nikkaji
- J986.050I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,1
- Polarare Oberfläche (TPSA)
- 149 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 12
- Schwere Atome
- 37
- Formalladung
- 0
- Komplexität
- 945
Physikochemische Eigenschaften
- Schmelzpunkt
- 92 · 92-98 °C(lit.)
- Siedepunkt
- 732.4 · 732.4±70.0 °C(Predicted)
- Dichte
- 1.345 · 1.345±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- soluble in Methanol
- Aggregatzustand
- powder to crystal
- pka
- -9.29 · -9.29±0.70(Predicted)
- Farbe
- White to Almost white
- BRN
- 2406580 · 2406580
- InChI
- 1S/C25H29NO8S3/c1-20-4-10-23(11-5-20)35(27,28)26(16-18-33-36(29,30)24-12-6-21(2)7-13-24)17-19-34-37(31,32)25-14-8-22(3)9-15-25/h4-15H,16-19H2,1-3H3
- InChIKey
- VJDZYMIEDBLSDT-UHFFFAOYSA-N
- SMILES
- Cc1ccc(cc1)S(=O)(=O)OCCN(CCOS(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c3ccc(C)cc3
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]；H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Warning
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/3026
Hazard Classes and Categories
Skin Sens. 1 (100%)；Aquatic Chronic 4 (100%)
Skin Sens. 1 (100%)；Aquatic Chronic 4 (100%)
Skin sensitisation - category 1；Hazardous to the aquatic environment (chronic) - category 4
Skin Sens. 1；Aquatic Chronic 4
Regulatorische Informationen
Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/3026
Sicherheitsdaten
- wgk
- 1
- hs_code
- 2935.90.9500
- risk_code
- 43-53
- hazard_code
- Xi
- safety_code
- 24-37-61
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Aquatic Chronic 4Skin Sens. 1
Chemie und Industrie
Anwendungen
VerwendenN,N-BIS[2-(P-TOLYLSULFONYLOXY)ETHYL]-P-TOLUENESULFONAMIDE used to prepare selectively protected aza-macrocycles,1 carbon-bridged metallacarboranes,2 and tetrakis(phosphonomethyl)-substituted cyclododecanes.3
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