Basic information
- CAS
68427-35-0- Standard SMILES
CCN(CC)c1ccc2cc(-c3nc4cc(S(N)(=O)=O)ccc4o3)c(=O)oc2c1- InChIKey
SDUIURJVOCHJCO-UHFFFAOYSA-N- Molecular formula
- C20H19N3O5S
- Average molar mass
- 413.4 g/mol
- Monoisotopic mass
- 413.10454189
Overview
3-[5-(Aminosulfonyl)benzoxazol-2-yl]-7-(diethylamino)coumarin is a member of coumarins.
Names & identifiers
- Preferred 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
- English name
- FLUORESCENT YELLOW AA223
- Molecular formula
- C20H19N3O5S
- Molecular weight
- 413.45
Names & synonyms
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
Show more names
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
RefChem:4593015-Benzoxazolesulfonamide, 2-7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl-Fluorescent yellow aa2232-[7-(diethylamino)-2-oxochromen-3-yl]-1,3-benzoxazole-5-sulfonamideAlbert Yellow2-(7-(diethylamino)-2-oxo-2H-chromen-3-yl)benzo[d]oxazole-5-sulfonamideSOLVENT YELLOW 172UNII-05ZE90DQA4
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 761
Experimental & physicochemical properties
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]
Physicochemical properties
- Melting point
- 298 · 298-299 °C(Solv: N,N-dimethylformamide (68-12-2))
- Boiling point
- 690.4 · 690.4±65.0 °C(Predicted)
- Density
- 1.428 · 1.428±0.06 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- pka
- 9.52 · 9.52±0.30(Predicted)
- Water Solubility
- 6.1 μg/L · 6.1μg/L at 20℃
- Cosmetics Ingredients Functions
- HAIR DYEING
- LogP
- 2.2 at · 2.2 at 35℃
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 5 ZE90DQA4 · 05ZE90DQA4
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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.
Hazard information
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%)
Safety data
- tsca
- TSCA listed
- Hazard statements
- H412
- REACH Registrations
- Active
- Precautionary statements
- P273-P501
Chemistry & industry
Uses & manufacturing
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
Applications
Uses2-[7-(Diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-5-benzoxazolesulfonamide is a useful synthetic compound.
Suppliers12 total
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]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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