Disodium 2-[4-[[2-cyano-3-[4-[methyl(2-sulphonatoethyl)amino]phenyl]-1-oxoallyl]amino]phenyl]-6-methylbenzothiazole-7-sulphonate is a complex organic compound with the molecular formula C26H20N4Na2O7S3. It is a disodium salt, which means it contains two sodium ions. The compound features a benzothiazole ring, which is a fused ring system consisting of a benzene ring and a thiazole ring. The benzothiazole ring is substituted with a methyl group at the 6th position and a sulphonyl group at the 7th position. Additionally, it has a phenyl group attached to the 2nd position of the benzothiazole ring, which is further substituted with a cyano group, an oxoallyl group, and a sulphonylethylamino group. disodium 2-[4-[[2-cyano-3-[4-[methyl(2-sulphonatoethyl)amino]phenyl]-1-oxoallyl]amino]phenyl]-6-methylbenzothiazole-7-sulphonate is characterized by its intricate structure and potential applications in various chemical and pharmaceutical industries.
2498-95-5
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Basic information
- Product Name: disodium 2-[4-[[2-cyano-3-[4-[methyl(2-sulphonatoethyl)amino]phenyl]-1-oxoallyl]amino]phenyl]-6-methylbenzothiazole-7-sulphonate
- Synonyms: disodium 2-[4-[[2-cyano-3-[4-[methyl(2-sulphonatoethyl)amino]phenyl]-1-oxoallyl]amino]phenyl]-6-methylbenzothiazole-7-sulphonate;7-Benzothiazolesulfonic acid, 2-4-2-cyano-3-4-methyl(2-sulfoethyl)aminophenyl-1-oxo-2-propenylaminophenyl-6-methyl-, disodium salt;2-[4-[[2-Cyano-3-[4-[methyl(2-sulfoethyl)amino]phenyl]-1-oxo-2-propenyl]amino]phenyl]-6-methyl-7-benzothiazolesulfonic acid disodium salt
- CAS NO:2498-95-5
- Molecular Formula: C27H22N4Na2O7S3
- Molecular Weight: 656.66072
- EINECS: 219-694-3
- Product Categories: N/A
- Mol File: 2498-95-5.mol
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Chemical Properties
- Melting Point: N/A
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Appearance: /
- Density: g/cm3
- Refractive Index: N/A
- Storage Temp.: N/A
- Solubility: N/A
- Water Solubility: 252g/L at 20℃
- CAS DataBase Reference: disodium 2-[4-[[2-cyano-3-[4-[methyl(2-sulphonatoethyl)amino]phenyl]-1-oxoallyl]amino]phenyl]-6-methylbenzothiazole-7-sulphonate(CAS DataBase Reference)
- NIST Chemistry Reference: disodium 2-[4-[[2-cyano-3-[4-[methyl(2-sulphonatoethyl)amino]phenyl]-1-oxoallyl]amino]phenyl]-6-methylbenzothiazole-7-sulphonate(2498-95-5)
- EPA Substance Registry System: disodium 2-[4-[[2-cyano-3-[4-[methyl(2-sulphonatoethyl)amino]phenyl]-1-oxoallyl]amino]phenyl]-6-methylbenzothiazole-7-sulphonate(2498-95-5)
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Safety Data
- Hazard Codes: N/A
- Statements: N/A
- Safety Statements: N/A
- WGK Germany:
- RTECS:
- HazardClass: N/A
- PackingGroup: N/A
- Hazardous Substances Data: 2498-95-5(Hazardous Substances Data)
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Check Digit Verification of cas no
The CAS Registry Mumber 2498-95-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,4,9 and 8 respectively; the second part has 2 digits, 9 and 5 respectively.Calculate Digit Verification of CAS Registry Number 2498-95:
(6*2)+(5*4)+(4*9)+(3*8)+(2*9)+(1*5)=115
115 % 10 = 5
So 2498-95-5 is a valid CAS Registry Number.
InChI:InChI=1/C27H24N4O7S3.2Na/c1-17-3-12-23-24(25(17)41(36,37)38)39-27(30-23)19-6-8-21(9-7-19)29-26(32)20(16-28)15-18-4-10-22(11-5-18)31(2)13-14-40(33,34)35;;/h3-12,15H,13-14H2,1-2H3,(H,29,32)(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2/b20-15+;;
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disodium 2-[4-[[2-cyano-3-[4-[methyl(2-sulphonatoethyl)amino]phenyl]-1-oxoallyl]amino]phenyl]-6-methylbenzothiazole-7-sulphonate
