Basic information
- CAS
3808-20-6- Standard SMILES
Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc(=O)c3ccccc3o2)cc1- InChIKey
LLJQYLKNKHDIOP-UHFFFAOYSA-N- Molecular formula
- C21H16N2O4S
- Average molar mass
- 392.4 g/mol
- Monoisotopic mass
- 392.08307817
Names & identifiers
- Preferred name
- 4-methyl-N-[2-(4-oxo-1,3-benzoxazin-2-yl)phenyl]benzenesulfonamide
- IUPAC
- 4-methyl-N-[2-(4-oxo-1,3-benzoxazin-2-yl)phenyl]benzenesulfonamide
- English name
- N-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-p-toluenesulphonamide
- Molecular formula
- C21H16N2O4S
- Molecular weight
- 392.43
Names & synonyms
EINECS 223-277-14-methyl-N-[2-(4-oxo-1,3-benzoxazin-2-yl)phenyl]benzenesulfonamide2-(2-Tosylaminophenyl)-4H-3,1-benzoxazin-4-one2-(2-(p-Toluenesulfonylamino)phenyl)-4H-3,1-benzoxazin-4-oneN-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-p-toluenesulphonamideN-[2-(4-keto-1,3-benzoxazin-2-yl)phenyl]-4-methyl-benzenesulfonamideBenzenesulfonamide, 4-methyl-N-2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl-4-METHYL-N-(2-(4-OXO-4H-BENZO(D)(1,3)OXAZIN-2-YL)-PHENYL)-BENZENESULFONAMIDE2-/2-(4-Toluenesulfonylamino)-phenyl/-4H-3,1-benzoxazinone-4 (Luminor yellow-green 540 T)2-/2-(4-ToluenesulfonylaMino)-phenyl/-4H-3,1-benzoxazin-4-one (LuMinor yellow-green 540 T)
Database identifiers
- CAS
3808-20-6- PubChem CID
- 77419
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 93.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 706
Physicochemical properties
- Melting point
- 221 ℃ · 221℃
- Boiling point
- 561.4 · 561.4±53.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3 (20 ºC 760 Torr)
- pka
- 8.08 · 8.08±0.10(Predicted)
- EPA Substance Registry System
- 4 · Benzenesulfonamide, 4-methyl-N-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]- (3808-20-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H315-H319-H413
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H335-H315-H319-H413
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers16 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
CD Chemical Group Limited+86-13651442114 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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