61724-28-5 Purity
96%
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Specification
The PubChem CID number for Acid Black 172 is 53488188.
The molecular formula of Acid Black 172 is C40H20CrN6Na3O14S2.
The synonyms of Acid Black 172 include Acid Black 172, 57693-14-8, C.I. 15711:1, 67U4FM81UF, Trisodium bis(3-hydroxy-4-((2-hydroxy-1-naphthyl)azo)-7-nitronaphthalene-1-sulphonato(3-))chromate(3-).
The molecular weight of Acid Black 172 is 993.7 g/mol.
The IUPAC name of Acid Black 172 is trisodium;chromium(3+);7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate.
The InChI of Acid Black 172 is InChI=1S/2C20H13N3O7S.Cr.3Na/c2*24-16-8-5-11-3-1-2-4-13(11)19(16)21-22-20-14-7-6-12(23(26)27)9-15(14)18(10-17(20)25)31(28,29)30;;;;/h2*1-10,24-25H,(H,28,29,30);;;;/q;;+3;3*+1/p-6.
The InChIKey of Acid Black 172 is WACZZIYBCYRXBW-UHFFFAOYSA-H.
The canonical SMILES of Acid Black 172 is C1=CC=C2C(=C1)C=CC(=C2N=NC3=C4C=CC(=CC4=C(C=C3[O-])S(=O)(=O)[O-])[N+](=O)[O-])[O-].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C4C=CC(=CC4=C(C=C3[O-])S(=O)(=O)[O-])[N+](=O)[O-])[O-].[Na+].[Na+].[Na+].[Cr+3].
The CAS number of Acid Black 172 is 57693-14-8.
The PubChem CID for Acid Black 172 is 53488188.
Some synonyms for Acid Black 172 include C.I. 15711:1, 67U4FM81UF, and Trisodium bis(3-hydroxy-4-((2-hydroxy-1-naphthyl)azo)-7-nitronaphthalene-1-sulphonato(3-))chromate(3-).
The InChI key of Acid Black 172 is WACZZIYBCYRXBW-UHFFFAOYSA-H.
Acid Black 172 has a hydrogen bond acceptor count of 18.
The computed molecular weight of Acid Black 172 is 993.7 g/mol.
The parent compound of Acid Black 172 is CID 3570294, which is 1-Naphthalenesulfonic acid, 3-hydroxy-4-[(2-hydroxy-1-naphthalenyl)azo]-7-nitro-.
The component compounds of Acid Black 172 include Sodium (CID 5360545), 1-Naphthalenesulfonic acid, 3-hydroxy-4-[(2-hydroxy-1-naphthalenyl)azo]-7-nitro- (CID 3570294), and Chromium (CID 23976).
Acid Black 172 was created on November 16, 2011.
Acid Black 172 was last modified on December 23, 2023.