Registration Dossier
Registration Dossier
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EC number: 274-499-0 | CAS number: 70247-70-0
Reference substances
- IUPAC name:
- disodium 4-[4-({5-[(2-bromoacryloyl)amino]-2-sulfonatophenyl}diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-2,5-dichlorobenzenesulfonate
Inventory
- EC number:
- 274-499-0
- EC name:
- Disodium 4-[4-[[5-[(2-bromo-1-oxoallyl)amino]-2-sulphonatophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-2,5-dichlorobenzenesulphonate
- CAS number:
- 70247-70-0
- CAS number:
- 70247-70-0
Synonyms
- Names:
- Benzenesulfonic acid, 4-[4-[[5-[(2-bromo-1-oxo- 2-propenyl)amino]-2-sulfophenyl]azo]-4,5-dihydro-3 -methyl-5-oxo-1H-pyrazol-1-yl]-2,5-dichloro-, disodium salt
- Benzenesulfonic acid, 4-[4-[[5-[(2-bromo-1-oxo-2-propenyl)amino]-2-sulfophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-2,5-dichloro-, disodium salt
- Identifier:
- IUPAC name
- Disodium 4-[4-[[5-[(2-bromo-1-oxoallyl)amino]-2-sulfonatophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-2,5-dichlorobenzenesulfonate
- Identifier:
- IUPAC name
- sodium (E)-4-(4-((5-(2-bromoacrylamido)-2-sulfonatophenyl)diazenyl)-3-methyl-5-oxo-4,5-dihydropyrazol-1-yl)-2,5-dichlorobenzenesulfonate
- Identifier:
- other: Molecular formula
- C19H12BrCl2N5Na2O8S2
- Identifier:
- other: Molecular formula
- C19H12BrCl2N5O8S2.2Na
- Identifier:
- other: SMILES notation
- CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)NC(=O)C(=C)Br)S(=O)(=O)[O-])C3=CC(=C(C=C3Cl)S(=O)(=O)[O-])Cl.[Na+].[Na+]
- Identifier:
- other: SMILES notation
- O=S(C1=CC(Cl)=C(N2N=C(C)C(/N=N/C3=CC(NC(C(Br)=C)=O)=CC=C3S(=O)(O[Na])=O)C2=O)C=C1Cl)(O[Na])=O
Molecular and structural information
- Molecular formula:
- C19H14BrCl2N5O8S2.2Na
- Molecular weight:
- ca. 699.2
- SMILES notation:
- [Na+].[Na+].BrC(=C)C(=O)Nc3cc(N=NC2C(\C)=N/N(c1cc(Cl)c(cc1Cl)S([O-])(=O)=O)C2=O)c(cc3)S([O-])(=O)=O
- InChl:
- InChI=1/C19H14BrCl2N5O8S2.2Na/c1-8(20)18(28)23-10-3-4-15(36(30,31)32)13(5-10)24-25-17-9(2)26-27(19(17)29)14-6-12(22)16(7-11(14)21)37(33,34)35;;/h3-7,17H,1H2,2H3,(H,23,28)(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2
- Structural formula:
Related substances
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