2-[7-(Diethylamino)-2-oxo-2H-1-benzopyran-3-yl]benzoxazol-5-sulfonamid
2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)benzoxazole-5-sulphonamide
Grundinformationen
- CAS
68427-35-0- Standard-SMILES
CCN(CC)c1ccc2cc(-c3nc4cc(S(N)(=O)=O)ccc4o3)c(=O)oc2c1- InChIKey
SDUIURJVOCHJCO-UHFFFAOYSA-N- Summenformel
- C20H19N3O5S
- Durchschnittliche Molmasse
- 413,4 g/mol
- Monoisotopische Masse
- 413,10454189
Überblick
3-[5-(Aminosulfonyl)benzoxazol-2-yl]-7-(diethylamino)coumarin is a member of coumarins.
Namen und Bezeichner
- Bevorzugter Name
- 2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)benzoxazole-5-sulphonamide
- IUPAC
- 2-[7-(diethylamino)-2-oxochromen-3-yl]-1,3-benzoxazole-5-sulfonamide
- Lokaler Name
- 2-[7-(Diethylamino)-2-oxo-2H-1-benzopyran-3-yl]benzoxazol-5-sulfonamid
- Englischer Name
- FLUORESCENT YELLOW AA223
- Summenformel
- C20H19N3O5S
- Molmasse
- 413.45
Namen und Synonyme
68427-35-03-(5-(Aminosulfonyl)benzoxazol-2-yl)-7-(diethylamino)coumarin05ZE90DQA4EINECS 270-393-32-[7-(Diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-5-benzoxazolesulfonamide5-Benzoxazolesulfonamide, 2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)-3-(5-(Aminosulfonyl)benzoxazolyl-2)-7-(diethylamino)coumarin3-[5-(Aminosulfonyl)benzoxazol-2-yl]-7-(diethylamino)coumarin2-(7-(Diethylamino)-2-oxo-2H-1-benzopyran-3-yl)benzoxazole-5-sulphonamide5-Benzoxazolesulfonamide, 2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-2-[7-(DIETHYLAMINO)-2-OXO-2H-1-BENZOPYRAN-3-YL]BENZOXAZOLE-5-SULPHONAMIDE2-(7-(Diethylamino)-2-oxo-2H-1-benzopyran-3-yl)-5-benzoxazolesulfonamide
Weitere Namen anzeigen
C.I.Solvent Yellow 172C.I. Solvent Yellow 135TIANFU-CHEM FLUORESCENT YELLOW AA2233-[5-(Aminosulfonyl)benzoxazolyl-2]-7-(diethylamino)coumarin2-[7-(diethylamino)-2-oxo-2h-1-benzopyran-3-yl]-5-benzoxazolesulfonamid
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 124 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 29
- Formalladung
- 0
- Komplexität
- 761
Experimentelle und physikochemische Eigenschaften
Physical DescriptionOther Solid; Dry Powder
Collision Cross Section205.5 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID6041476]
Physikochemische Eigenschaften
- Schmelzpunkt
- 298 · 298-299 °C(Solv: N,N-dimethylformamide (68-12-2))
- Siedepunkt
- 690.4 · 690.4±65.0 °C(Predicted)
- Dichte
- 1.428 · 1.428±0.06 g/cm3(Predicted)
- Dampfdruck
- 0 Pa · 0Pa at 25℃
- pka
- 9.52 · 9.52±0.30(Predicted)
- Wasserlöslichkeit
- 6.1 μg/L · 6.1μg/L at 20℃
- Kosmetik-Inhaltsstoffe Funktionen
- HAIR DYEING
- LogP
- 2.2 at · 2.2 at 35℃
- EPA chemische Informationen
- 3 · 3-[5-(Aminosulfonyl)benzoxazol-2-yl]-7-(diethylamino)coumarin (68427-35-0)
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
This chemical does not meet GHS hazard criteria for 87.5% (7 of 8) of all reports.
H412 (12.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: 5-Benzoxazolesulfonamide, 2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-
5-Benzoxazolesulfonamide, 2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 5-Benzoxazolesulfonamide, 2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]benzoxazole-5-sulphonamide (EC: 270-393-3)
5-Benzoxazolesulfonamide, 2-7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAquatic Chronic 3 (12.5%)
Sicherheitsdaten
- tsca
- TSCA listed
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 628,100 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesDye
General Manufacturing Information
Printing Ink Manufacturing
5-Benzoxazolesulfonamide, 2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-: ACTIVE
Anwendungen
Verwenden2-[7-(Diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-5-benzoxazolesulfonamide is a useful synthetic compound.
Anbieter12 Anbieter
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
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