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General information

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

No inventory information available

Reference substance information

IUPAC name:
disodium 4-{4-[(E)-2-[5-(2-bromoprop-2-enamido)-2-sulfonatophenyl]diazen-1-yl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-2,5-dichlorobenzene-1-sulfonate
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:
CAS number
70247-70-0
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
disodium 4-[4-({5-[(2-bromoacryloyl)amino]-2-sulfonatophenyl}diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-2,5-dichlorobenzenesulfonate

CAS information

CAS number:
70247-70-0

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:
Chemical structure