Oxobenzoxazinyl naphthalene sulfoanilide
Basic information
- CAS
10128-55-9- Standard SMILES
O=c1oc(-c2ccccc2NS(=O)(=O)c2ccc3ccccc3c2)nc2ccccc12- InChIKey
SYRKOPHMPLPLPQ-UHFFFAOYSA-N- Molecular formula
- C24H16N2O4S
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.08307817
Names & identifiers
- Preferred name
- Oxobenzoxazinyl naphthalene sulfoanilide
- IUPAC
- N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]naphthalene-2-sulfonamide
- English name
- N-[2-(4-Oxo-4H-3,1-benzoxazin-2-yl)phenyl]-2-naphthalenesulfonamide
- Molecular formula
- C24H16N2O4S
- Molecular weight
- 428.46
Names & synonyms
10128-55-9oxobenzoxazinyl naphthalene sulfoanilideN-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-2-naphthalenesulfonamide2-Naphthalenesulfonamide, N-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-ORLUM WHITE 520TEINECS 233-360-4N-(2-(4-Oxo-4H-3,1-benzoxazin-2-yl)phenyl)-2-naphthalenesulfonamide19C742D53KN-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]naphthalene-2-sulphonamideDTXSID10649582-Naphthalenesulfonamide, N-(2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl)-2-NAPHTHALENESULFONANILIDE, 2'-(4-OXO-4H-3,1-BENZOXAZIN-2-YL)-
Show more names
LUMINORE GREEN 525TN-[2-(4-Oxo-4H-3,1-benzoxazin-2-yl)phenyl]-2-phthalenesulfomideN-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]naphthalene-2-sulp...N-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]naphthalene-2-sulphonan-[2-(4-oxo-4h-3,1-benzoxazin-2-yl)phenyl]-2-naphthalenesulfonamid
N-(2-(4-Oxo-4H-3,1-benzoxazin-2-yl)phenyl)naphthalene-2-sulphonamideRefChem:857772DTXCID4032615OXOBENZOXAZINYL NAPHTHALENE SULFOANILIDE [INCI]2-Naphthalenesulfonamide, N-2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]naphthalene-2-sulfonamideN-(2-(4-Oxo-4H-benzo[d][1,3]oxazin-2-yl)phenyl)naphthalene-2-sulfonamideN-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]naphthalene-2-sulfonamide
Database identifiers
- CAS
10128-55-9- PubChem CID
- 82379
- DTXSID
DTXSID1064958- ChEMBL
CHEMBL1507475- UNII
- 19C742D53K
- EC Number
- 233-360-4
- Nikkaji
- J227.056K
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 93.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 805
Physicochemical properties
- Melting point
- 184.8 · 184.8-185.5 °C
- Boiling point
- 629.7 · 629.7±48.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 7.43 · 7.43±0.50(Predicted)
- Appearance
- White to off-white Solid
- Water Solubility
- 46.11 μg/L · 46.11μg/L at 18.8℃
- Cosmetics Ingredients Functions
- UV ABSORBER
- InChI
- InChI=1S/C24H16N2O4S/c27-24-20-10-4-5-11-21(20)25-23(30-24)19-9-3-6-12-22(19)26-31(28,29)18-14-13-16-7-1-2-8-17(16)15-18/h1-15,26H
- InChIKey
- SYRKOPHMPLPLPQ-UHFFFAOYSA-N
- SMILES
- C1=C2C(C=CC=C2)=CC=C1S(NC1=CC=CC=C1C1OC(=O)C2=CC=CC=C2N=1)(=O)=O
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 19 C742D53K · 19C742D53K
- EPA Substance Registry System
- 2 · 2-Naphthalenesulfonamide, N-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]- (10128-55-9)
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 20.3% (14 of 69) of reports.
Warning
H400 (68.1%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 69 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2-Naphthalenesulfonamide, N-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-
REACH registered substance: N-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]naphthalene-2-sulphonamide (EC: 233-360-4)
2-Naphthalenesulfonamide, N-2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAquatic Acute 1 (68.1%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- REACH Registrations
- Active
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Naphthalenesulfonamide, N-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-: ACTIVE
Related reactions
1 records
Compound notes
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