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| CAS No.: | 13736-22-6 |
|---|---|
| Name: | Sodium 4-formylbenzenesulfonate |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C7H5NaO4S |
| Molecular Weight: | 208.17 |
| Synonyms: | Benzenesulfonicacid, 4-formyl-, sodium salt (9CI);Benzenesulfonic acid, p-formyl-, sodiumsalt (8CI);Sodium 4-formylbenzenesulfonate;Sodium benzaldehyde-p-sulfonate;Sodium p-formylbenzenesulfonate; |
| EINECS: | 237-309-7 |
| Appearance: | white crystal |
| PSA: | 82.65000 |
| LogP: | 1.48400 |
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- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 2695-37-6
sodium 4-styrenesulfonate
- 13736-22-6
sodium 4-carboxy-benzenesulfonate
| Conditions | Yield |
|---|---|
| With ammonium cerium (IV) nitrate; [Ru(dmp)2(H2O)2](PF6)2; water-d2 at 20℃; for 3h; Inert atmosphere; | |
| With triiron dodecarbonyl; tris(2,2'-bipyridyl)ruthenium dichloride; bis(2-phenylpyridinato)(2,2'-bipyridine)iridium(III) hexafluorophosphate; [Ru(TPA)(H2O)2](BPh4)2; water In tetrahydrofuran at 20℃; for 18h; Inert atmosphere; Irradiation; | |
| With tris(2,2'-bipyridyl)ruthenium dichloride; chloropentamminecobalt(III)(2+); diaqua(tris(2-pyridylmethyl)amine)ruthenium(II)(2+) In water-d2 at 24.84℃; Irradiation; | |
| With sodium persulfate; C29H22Cl2FeN6O(2+)*2NO3(1-) at 49.84℃; for 3h; Catalytic behavior; |
- 2695-37-6
sodium 4-styrenesulfonate
A
- 13736-22-6
sodium 4-carboxy-benzenesulfonate
| Conditions | Yield |
|---|---|
| With ammonium cerium (IV) nitrate; water-d2 at 20℃; for 3h; Inert atmosphere; | |
| With tris(bipyridine)ruthenium(II) dichloride hexahydrate; methyl viologen dichloride hydrate; C54H36F10Fe2N8O3(2+)*2CF3O3S(1-); oxygen In aq. buffer for 22h; pH=4; Catalytic behavior; Quantum yield; Kinetics; Irradiation; | A 12.7 %Spectr. B 11.7 %Spectr. |
- 2695-37-6
sodium 4-styrenesulfonate
A
- 13736-22-6
sodium 4-carboxy-benzenesulfonate
| Conditions | Yield |
|---|---|
| With tris(2,2’-bipyridine)ruthenium(II); laccase LAC3 from Trametes sp. C30; oxygen for 6h; pH=6; pH-value; Reagent/catalyst; Irradiation; Inert atmosphere; Glovebox; Enzymatic reaction; |
- 2695-37-6
sodium 4-styrenesulfonate
A
- 13736-22-6
sodium 4-carboxy-benzenesulfonate
| Conditions | Yield |
|---|---|
| With tris(bipyridine)ruthenium(II) dichloride hexahydrate; methyl viologen dichloride hydrate; C54H36F10Fe2N8O3(2+)*2CF3O3S(1-); oxygen In aq. buffer for 22h; pH=6; Catalytic behavior; Irradiation; | A 10.5 %Spectr. B 10.7 %Spectr. |
- 13736-22-6
sodium 4-carboxy-benzenesulfonate
- 13297-17-1
3-methyl-2-acetylquinoxaline-1,4-dioxide
| Conditions | Yield |
|---|---|
| With sodium carbonate In water at 30℃; for 5h; | 77.9% |
- 1122-62-9
2-acetylpyridine
- 13736-22-6
sodium 4-carboxy-benzenesulfonate
- 1559041-58-5
sodium 4-(2,2’:6’,2”-terpyridin-4'-yl)benzenesulfonate
| Conditions | Yield |
|---|---|
| With ammonia; sodium hydroxide In ethanol at 0 - 5℃; for 3h; | 53% |
- 13736-22-6
sodium 4-carboxy-benzenesulfonate
- 69251-24-7
[1-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)-ethyl]-triphenylphosphonium bromide
- 87719-34-4
sodium p-<(E)-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)propenyl>benzenesulfonate
| Conditions | Yield |
|---|---|
| With sodium hydride 1.) DMF, 0 deg C, 1 h, 2.) DMF, room temperature, 3 h; Yield given. Multistep reaction; |
- 13736-22-6
sodium 4-carboxy-benzenesulfonate
- 89471-12-5
ethyl p-<(E)-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)propenyl>benzenesulfonate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 1.) sodium hydride / 1.) DMF, 0 deg C, 1 h, 2.) DMF, room temperature, 3 h 2: 87 percent / CH2Cl2 / 45 h / Ambient temperature View Scheme |
- 13736-22-6
sodium 4-carboxy-benzenesulfonate
- 89471-13-6
N-ethyl p-<(E)-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)propenyl>benzenesulfonamide
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 1.) sodium hydride / 1.) DMF, 0 deg C, 1 h, 2.) DMF, room temperature, 3 h 2: 1.) thionyl chloride / 1.) DMF, 30 min, 2.) 1 h, DMF View Scheme |
- 13736-22-6
sodium 4-carboxy-benzenesulfonate
- 85822-16-8
4-formylbenzene-1-sulfonyl chloride
| Conditions | Yield |
|---|---|
| With thionyl chloride for 0.5h; Heating / reflux; |
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Specification
The Sodium 4-formylbenzenesulfonate with cas registry number of 13736-22-6, its system generated number is 0013736226. And its systematic name is sodium 4-formylbenzenesulfonate. And it is also named 4-Formylbenzenesulfonic acid sodium salt; benzenesulfonic acid, 4-formyl-, sodium salt (1:1).
Physical properties about this chemical are: (1)ACD/LogP: 0.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.16; (4)ACD/LogD (pH 7.4): -3.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 79.82 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES:[Na+].O=S([O-])(=O)c1ccc(C=O)cc1;
(2)InChI:InChI=1/C7H6O4S.Na/c8-5-6-1-3-7(4-2-6)12(9,10)11;/h1-5H,(H,9,10,11);/q;+1/p-1;
(3)InChIKey:FZPPRCKGVCCJSG-REWHXWOFAO;
(4)Std. InChI:InChI=1S/C7H6O4S.Na/c8-5-6-1-3-7(4-2-6)12(9,10)11;/h1-5H,(H,9,10,11);/q;+1/p-1;
(5)Std. InChIKey:FZPPRCKGVCCJSG-UHFFFAOYSA-M.