Cas no 6247-24-1 (disodium 5-[(3-carboxylato-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-(2-hydroxy-3,6-disulfo-1-naphthyl)methyl]-2-hydroxy-3-methyl-benzoate)
![disodium 5-[(3-carboxylato-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-(2-hydroxy-3,6-disulfo-1-naphthyl)methyl]-2-hydroxy-3-methyl-benzoate structure](https://ossimg.kuujia.com/scimg/6500/6247-24-1x500.png)
6247-24-1 structure
Product Name:disodium 5-[(3-carboxylato-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-(2-hydroxy-3,6-disulfo-1-naphthyl)methyl]-2-hydroxy-3-methyl-benzoate
CAS No:6247-24-1
MF:C27H18Na2O13S2
MW:660.533567905426
CID:1638899
Update Time:2024-09-11
disodium 5-[(3-carboxylato-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-(2-hydroxy-3,6-disulfo-1-naphthyl)methyl]-2-hydroxy-3-methyl-benzoate Chemical and Physical Properties
Names and Identifiers
-
- disodium 5-[(3-carboxylato-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-(2-hydroxy-3,6-disulfo-1-naphthyl)methyl]-2-hydroxy-3-methyl-benzoate
- benzoic a<wbr>
- Disodium <wbr>
- LogP
- Benzoic acid, 5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2-hydroxy-3,6-disulfo-1-naphthalenyl)methyl]-2-hydroxy-3-methyl-, disodium salt
- C.I.Mordant Blue 42:C.I.44100
- Mordant Blue 42
-
- Inchi： 1S/C27H20O13S2.2Na/c1-11-5-14(8-18(23(11)28)26(31)32)21(15-6-12(2)24(29)19(9-15)27(33)34)22-17-4-3-16(41(35,36)37)7-13(17)10-20(25(22)30)42(38,39)40;;/h3-10,28,30H,1-2H3,(H,31,32)(H,33,34)(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2/b21-15+;;
- InChI Key： QRJJJINYOHCWIQ-SMHPQPFFSA-L
- SMILES： [Na+].[Na+].C([O-])(=O)C1=CC(/C(=C2/C=C(C)C(=O)C(C(O)=O)=C/2)/C2=C3C(C=C(S([O-])(=O)=O)C=C3)=CC(S(O)(=O)=O)=C2O)=CC(C)=C1O
Computed Properties
- Exact Mass: 659.99844
- Monoisotopic Mass: 659.998
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 13
- Heavy Atom Count: 44
- Rotatable Bond Count: 6
- Complexity: 1360
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 263A^2
Experimental Properties
- PSA: 246.53
disodium 5-[(3-carboxylato-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-(2-hydroxy-3,6-disulfo-1-naphthyl)methyl]-2-hydroxy-3-methyl-benzoate Related Literature
-
Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
-
Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
-
Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
-
Camelia Henríquez,Edwin Palacio,Víctor Cerdà Anal. Methods, 2014,6, 8494-8504
6247-24-1 (disodium 5-[(3-carboxylato-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-(2-hydroxy-3,6-disulfo-1-naphthyl)methyl]-2-hydroxy-3-methyl-benzoate) Related Products
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)
Recommended suppliers
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Essenoi Fine Chemical Co., Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
Jiangsu Xinsu New Materials Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
