12238-01-6 Purity
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Specification
The molecular formula of Reactive Blue 4 is C23H14Cl2N6O8S2.
Reactive Blue 4 was created on 2005-03-26 and last modified on 2023-12-23.
The molecular weight of Reactive Blue 4 is 637.4 g/mol.
The IUPAC Name of Reactive Blue 4 is computed by Lexichem TK 2.7.0.
The InChI of Reactive Blue 4 is InChI=1S/C23H14Cl2N6O8S2/c24-21-29-22(25)31-23(30-21)28-12-7-9(5-6-14(12)40(34,35)36)27-13-8-15(41(37,38)39)18(26)17-16(13)19(32)10-3-1-2-4-11(10)20(17)33/h1-8,27H,26H2,(H,34,35,36)(H,37,38,39)(H,28,29,30,31).
The InChIKey of Reactive Blue 4 is RTLULCVBFCRQKI-UHFFFAOYSA-N.
The Canonical SMILES of Reactive Blue 4 is computed by OEChem 2.3.0.
The CAS number of Reactive Blue 4 is 13324-20-4.
Reactive Blue 4 has 5 hydrogen bond donor count.
The topological polar surface area of Reactive Blue 4 is 248 Ų.
Reference: [1]RSC Advances,2015,vol. 5,p. 10799 - 10808
Reference: [1]RSC Advances,2015,vol. 5,p. 10799 - 10808
* For details of the synthesis route, please refer to the original source to ensure accuracy.