Grundinformationen
- CAS
4156-16-5- Standard-SMILES
CC[n+]1ccc(-c2cccc(S(=O)(=O)[O-])c2)o1- InChIKey
MWOOKDULMBMMPN-UHFFFAOYSA-N- Summenformel
- C11H11NO4S
- Durchschnittliche Molmasse
- 253,28 g/mol
- Monoisotopische Masse
- 253,04087883
Überblick
reagent for rapid modification of carboxyl groups in proteins; structure
Namen und Bezeichner
- Bevorzugter Name
- Woodward's reagent K
- IUPAC
- 3-(2-ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonate
- Lokaler Name
- 2-Ethyl-5-phenylisoxazolium-3'-sulfonat
- Englischer Name
- 2-Ethyl-5-phenylisoxazolium-3'-sulfonate
- Summenformel
- C11H11NO4S
- Molmasse
- 253.27
Namen und Synonyme
4156-16-5Woodward's Reagent KN-ETHYL-5-PHENYLISOXAZOLIUM-3'-SULFONATE3BN309R76HNSC-82643DTXSID801944112-Ethyl-5-(3-sulfophenyl)isoxazolium, hydroxide, inn er saltreagent K, Woodward'sRefChem:163316DTXCID90116902223-988-72-Ethyl-5-phenylisoxazolium-3'-sulfonate
Weitere Namen anzeigen
-sulfonateWOODWARDS REAGENT KNEPISWOODWARD'S REAGWoodward's reagent K 95%N-Ethyl-5-phenylisoxazolium-3'2-Ethyl-5-phenylisoxazolium-3-sulfonate2-Ethyl-5-phenylisooxazoliuM-3-sulfonate
2-Ethyl-5-phenylisoxazolium-3-sulfonate3-(2-ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonateMFCD00012128UNII-3BN309R76H3-(2-Ethyl-2H-isoxazol-1-ium-5-yl)benzenesulfonateNEPISEINECS 223-988-72-Ethyl-5-(3-sulfophenyl)isoxazolium inner salt
Datenbank-Bezeichner
- CAS
4156-16-5
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 82,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 338
Physikochemische Eigenschaften
- Schmelzpunkt
- 216 · 216-219 °C (dec.)
- Dichte
- 1.3854 · 1.3854 (rough estimate)
- Brechungsindex
- 1.479 · 1.4790 (estimate)
- storage temp.
- Store at RT.
- Löslichkeit
- 2 · insol MeCN, MeNO2, DMF, CH2Cl2; sol H2O.
- Merck
- 10050 · 10050
- BRN
- 4149224 · 4149224
- Major Application
- peptide synthesis
- InChI
- 1S/C11H11NO4S/c1-2-12-7-6-11(16-12)9-4-3-5-10(8-9)17(13,14)15/h3-8H,2H2,1H3
- InChIKey
- MWOOKDULMBMMPN-UHFFFAOYSA-N
- SMILES
- CC[n+]1ccc(o1)-c2cccc(c2)S([O-])(=O)=O
- CAS Datenbank
- 4156 · 4156-16-5(CAS DataBase Reference)
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory InformationIsoxazolium, 2-ethyl-5-(3-sulfophenyl)-, inner salt: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 3
- risk_code
- 22
- hazard_code
- Xn
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)
Anwendungen
VerwendenPeptide-bond former.
Anbieter36 Anbieter
国药集团化学试剂有限公司86-21-63210123 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）
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