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Basic information
- CAS
29637-29-4- Standard SMILES
CCN1C(=CC=CC=C2C(=O)N(c3ccc(S(=O)(=O)O)cc3)N=C2C)Oc2ccccc21- InChIKey
ORAPKIMSYPKJRA-UHFFFAOYSA-N- Molecular formula
- C23H21N3O5S
- Average molar mass
- 451.504 g/mol
- Monoisotopic mass
- 451.12019177
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 4-[4-[4-(3-ethyl-2(3H)-benzoxazolylidene)-2-butenylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-
- IUPAC
- 4-{4-[4-(3-Ethyl-1,3-benzoxazol-2(3H)-ylidene)but-2-en-1-ylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonic acid
- English name
- 4-[4-[4-(3-ethyl-benzoxazol-2(3H)-ylidene)buten-2-ylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid
- Molecular formula
- C23H21N3O5S
- Molecular weight
- 451.5
Names & synonyms
4-[[4-[4-[3-Ethylbenzoxazol-2(3H)-ylidene]-2-butenylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol]-1-yl]benzenesulfonic acid4-[4-[4-(3-ethyl-benzoxazol-2(3H)-ylidene)buten-2-ylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid4-[4-[4-(3-Ethyl-2(3H)-benzoxazolylidene)-2-buten-1-ylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid
Database identifiers
- CAS
29637-29-4- PubChem CID
- 122437
- DTXSID
DTXSID8067490- EC Number
- 249-746-0
Properties
Physicochemical properties
- Density
- 1.35 · 1.350±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.168 · -0.168±0.20(predicted)
- EPA Substance Registry System
- 4 · Benzenesulfonic acid, 4-[4-[4-(3-ethyl-2(3H)-benzoxazolylidene)-2-butenylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]- (29637-29-4)
- 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
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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