Basic information
- CAS
27969-56-8- Standard SMILES
CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)\C1=C/C=C/C=C/c1c(C)[nH]n(-c2ccc(S(=O)(=O)O)cc2)c1=O- InChIKey
TZTOFZIBLYUIGG-GSLHRLMQSA-N- Molecular formula
- C25H22N4O8S2
- Average molar mass
- 570.6 g/mol
- Monoisotopic mass
- 570.08790602
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 4-[4,5-dihydro-4-[5-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2,4-pentadien-1-ylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]-
- IUPAC
- 4-[5-methyl-4-[(1E,3E,5Z)-5-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]penta-1,3-dienyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid
- English name
- OXONOL 805 BLUE
- Molecular formula
- C25H22N4O8S2
- Molecular weight
- 570.59
Names & synonyms
Benzenesulfonic acid, 4-(4,5-dihydro-4-(5-(5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl)-2,4-pentadienylidene)-3-methyl-5-oxo-1H-pyrazol-1-yl)-Benzenesulfonic acid, 4-(4,5-dihydro-4-(5-(5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl)-2,4-pentadien-1-ylidene)-3-methyl-5-oxo-1H-pyrazol-1-yl)-Benzenesulfonic acid, 4-[4,5-dihydro-4-[5-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2,4-pentadien-1-ylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]-Benzenesulfonic acid, 4-[4,5-dihydro-4-[5-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2,4-pentadienylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]-RefChem:564458EINECS 248-752-0SCHEMBL4635386D91809p-(4,5-Dihydro-4-(5-(5-hydroxy-3-methyl-1-(4-sulphophenyl)-1H-pyrazol-4-yl)penta-2,4-dienylidene)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acidOXONOL 805 BLUE1,5-PENTAMETHIN-4,4'-BIS[1-(P-SULFOPHENYL)-3-METHYL-5-PYRAZOLONE]4-pentadienylidene]-3-methyl-5-oxo-1h-pyrazol-1-yl]--1h-pyrazol-4-yl]-
Show more names
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 191 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,370
Physicochemical properties
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- pka
- -1.76 · -1.76±0.50(Predicted)
- EPA Substance Registry System
- 4 · Benzenesulfonic acid, 4-[4,5-dihydro-4-[5-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2,4-pentadienylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]- (27969-56-8)
- 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.
Hazard information
Regulatory InformationChemical: Benzenesulfonic acid, 4-[4,5-dihydro-4-[5-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2,4-pentadienylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]-
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 4-[4,5-dihydro-4-[5-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2,4-pentadien-1-ylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]-: ACTIVE
Applications
UsesOxonol 805 Blue is a polymethine dye used in the production of colorants for temporary hair colors.
Suppliers19 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…