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Quality Control of [ 831-59-4 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 831-59-4 ]

Product Details of [ 831-59-4 ]

CAS No. :	831-59-4	MDL No. :	MFCD00007492
Formula :	C₆H₄Na₂O₆S₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	282.20	Pubchem ID :	-
Synonyms :

Safety of [ 831-59-4 ]

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H315-H319-H335	Packing Group:
GHS Pictogram:

Application In Synthesis of [ 831-59-4 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 831-59-4 ]

[ 831-59-4 ] Synthesis Path-Downstream 1~26

1
[ 831-59-4 ]
[ 585-47-7 ]

Yield	Reaction Conditions	Operation in experiment
96%	With thionyl chloride for 0.333333h; Reflux;	Synthesis of the Benzene-1,3-disulfonyl Dichloride UsingMethod A and B Method B: Benzene-1,3-disulfonate (1.0 g, 3.54 mmol)was added to sulfurous dichloride (0.835 g, 7.08 mmol). Themixture was heated under reflux condition for 20 min thencooled to room temperature. The solution was quenched withice water (10 mL) and extracted with CHCl3 (225 mL). Theorganic layer was dried over MgSO4 and concentrated toafford the expected compound, in 96% yield and 98% purity.Solvent of the collected organic phase was removed underreduced pressure to give benzene-1,3-disulfonyl dichloride(BDD). The solid residue was recrystallized from CHCl3 (15mL).
76%	With phosphorus pentachloride at 90℃; for 16h;
67%	With thionyl chloride In <i>N</i>-methyl-acetamide; (2S)-N-methyl-1-phenylpropan-2-amine hydrate; hexane	P.1 Preparation of Benzene-m-Disulfonyl Chloride PREPARATION EXAMPLE 1 Preparation of Benzene-m-Disulfonyl Chloride 90 g (0.3 mol) of sodium benzene-m-disulfonate, 210 ml of thionyl chloride and 6 ml of dimethylformamide were placed in a 500 ml flask, and the mixture was heated in an oil bath for 4 hours under refluxing. After distilling off any excess of the thionyl chloride, the reaction mixture was poured into 300 ml of ice-water and extracted with 300 ml of benzene. The extract was dried over anhydrous sodium sulfate and concentrated under reduced pressure. 300 ml of n-hexane was added to the resulting oily substance followed by stirring to precipitate crystals as a product. The resulting product was then distilled at 163°-167° C./8.5 mmHg to obtain the desired product as crystals having a melting point of 58°-59° C. Yield, 67%.

67%	With thionyl chloride; N,N-dimethyl-formamide In tetrahydrofuran at 0 - 20℃; for 26h; Inert atmosphere;
	With trichlorophosphate In sulfolane; N,N-dimethyl acetamide; acetonitrile at 70℃; for 3h; Yield given;
	With phosphorus pentachloride for 2h;
	With phosphorus pentachloride at 40 - 50℃; for 2h;
	With trichlorophosphate at 100℃;	II.E.1.1 General procedure: Compound 1 (1.0 g, 3.54 mmol) was dissolved in 10 g (65.22 mmol) of POCI3, then, the mixture was warmed to 100 °C and stirred for overnight. Solvent was evaporated in vacuo and the residue was prepared for next step
	With phosphorus pentachloride at 40 - 50℃; for 2h;

Reference： [1]Ghorbani-Vaghei, Ramin; Amiri, Mostafa; Veisi, Hojat [Letters in Organic Chemistry, 2013, vol. 10, # 1, p. 37 - 41]
[2]Smedley, Christopher J.; Barrow, Andrew S.; Spiteri, Christian; Giel, Marie-Claire; Sharma, Pallavi; Moses, John E. [Chemistry - A European Journal, 2017, vol. 23, # 42, p. 9990 - 9995]
[3]Current Patent Assignee: FUJIFILM HOLDINGS CORP. - US4176134, 1979, A
[4]Aboudzadeh, M. Ali; Shaplov, Alexander S.; Hernandez, Guiomar; Vlasov, Petr S.; Lozinskaya, Elena I.; Pozo-Gonzalo, Cristina; Forsyth, Maria; Vygodskii, Yakov S.; Mecerreyes, David [Journal of Materials Chemistry A, 2015, vol. 3, # 5, p. 2338 - 2343]
[5]Suzuki, Hiroshi; Yazawa, Naoto; Yoshida, Yasuo; Furusawa, Osamu; Kimura, Yoshikazu [Bulletin of the Chemical Society of Japan, 1990, vol. 63, # 7, p. 2010 - 2017]
[6]Ghorbani-Vaghei, Ramin; Azarifar, Davood; Khazaei, Ardeshir; Maleki, Behrooz [Phosphorus, Sulfur and Silicon and the Related Elements, 2004, vol. 179, # 9, p. 1877 - 1881] Ghorbani-Vaghei, Ramin; Jalili, Hamid [Synthesis, 2005, # 7, p. 1099 - 1102]
[7]Ghorbani-Vaghei, Ramin; Azarifar, Davood; Maleki, Behrooz [Journal of the Chinese Chemical Society, 2004, vol. 51, # 6, p. 1373 - 1376]
[8]Current Patent Assignee: JOHNSON & JOHNSON INC - WO2013/96744, 2013, A1 Location in patent: Page/Page column 238
[9]Alavinia, Sedigheh; Ghorbani-Vaghei, Ramin; Rakhtshah, Jamshid; Yousefi Seyf, Jaber; Ali Arabian, Iman [Applied Organometallic Chemistry, 2020, vol. 34, # 3]

2
[ 831-59-4 ]
[ 62-53-3 ]
[ 5905-36-2 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium 1.) 180 deg C, 3 h, 2.) 230 deg C, 30 h;; Yield given. Multistep reaction;

Reference： [1]Shein, S. M.; Rusov, V. P.; Sokolenko, V. I. [Journal of Organic Chemistry USSR (English Translation), 1980, vol. 16, p. 2014 - 2016][Zhurnal Organicheskoi Khimii, 1980, vol. 16, # 11, p. 2356 - 2358]

3
[ 831-59-4 ]
[ 3701-01-7 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: PCl₅ / 2 h 2: aq. NH₃
	Multi-step reaction with 2 steps 1: PCl₅ / 2 h / 40 - 50 °C 2: 90 percent / NH₃ / CHCl₃
	Multi-step reaction with 2 steps 1: PCl₅ / 2 h 2: NH₃ / CHCl₃

Reference： [1]Ghorbani-Vaghei, Ramin; Jalili, Hamid [Synthesis, 2005, # 7, p. 1099 - 1102]
[2]Ghorbani-Vaghei, Ramin; Azarifar, Davood; Maleki, Behrooz [Journal of the Chinese Chemical Society, 2004, vol. 51, # 6, p. 1373 - 1376]
[3]Ghorbani-Vaghei, Ramin; Azarifar, Davood; Khazaei, Ardeshir; Maleki, Behrooz [Phosphorus, Sulfur and Silicon and the Related Elements, 2004, vol. 179, # 9, p. 1877 - 1881]

4
[ 831-59-4 ]
[ 848408-54-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: PCl₅ / 2 h 2: aq. NH₃ 3: 90 percent / aq. NaOH; Br₂
	Multi-step reaction with 3 steps 1.1: PCl₅ / 2 h / 40 - 50 °C 2.1: 90 percent / NH₃ / CHCl₃ 3.1: aq. NaOH / 20 °C 3.2: 90 percent / Br₂ / 6 h / 20 °C
	Multi-step reaction with 3 steps 1: PCl₅ / 2 h 2: NH₃ / CHCl₃ 3: 90 percent / aq. NaOH; Br₂

5
[ 831-59-4 ]
[ 1547-91-7 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: phosphoryl chloride / acetonitrile; tetrahydrothiophene 1,1-dioxide; N,N-dimethyl-acetamide / 3 h / 70 °C 2: 87 percent / KF, Ph₄PBr / acetonitrile / 16 h / Heating 3: 74 percent / KF, PPh₄Br / tetrahydrothiophene 1,1-dioxide; toluene / 5 h / 210 °C / 270 Torr

Reference： [1]Suzuki, Hiroshi; Yazawa, Naoto; Yoshida, Yasuo; Furusawa, Osamu; Kimura, Yoshikazu [Bulletin of the Chemical Society of Japan, 1990, vol. 63, # 7, p. 2010 - 2017]

6
[ 831-59-4 ]
[ 7552-55-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: phosphoryl chloride / acetonitrile; tetrahydrothiophene 1,1-dioxide; N,N-dimethyl-acetamide / 3 h / 70 °C 2: 87 percent / KF, Ph₄PBr / acetonitrile / 16 h / Heating
	Multi-step reaction with 2 steps 1: phosphorus pentachloride / 16 h / 90 °C 2: potassium hydrogen difluoride / water; acetonitrile / 3 h / 20 °C

Reference： [1]Suzuki, Hiroshi; Yazawa, Naoto; Yoshida, Yasuo; Furusawa, Osamu; Kimura, Yoshikazu [Bulletin of the Chemical Society of Japan, 1990, vol. 63, # 7, p. 2010 - 2017]
[2]Smedley, Christopher J.; Barrow, Andrew S.; Spiteri, Christian; Giel, Marie-Claire; Sharma, Pallavi; Moses, John E. [Chemistry - A European Journal, 2017, vol. 23, # 42, p. 9990 - 9995]

7
[ 831-59-4 ]
[ 69031-60-3 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium nitrate In sulfuric acid; water	1 5,5',5"-[s-Phenenyltris(sulfonylimino)]tri-m-benzenedisulfonic acid, hexasodium salt EXAMPLE 1 5,5',5"-[s-Phenenyltris(sulfonylimino)]tri-m-benzenedisulfonic acid, hexasodium salt A mixture of 141 g. of disodium benzene-1,3-disulfonate in 450 ml. of concentrated sulfuric acid is stirred and heated to 65° C. During the course of 31/4 hours, 120 g. of sodium nitrate are added in portions while the mixture is stirred and maintained at 70° C. After addition is complete, the mixture is cooled to 5° C. and 900 g. of ice are added with stirring. The mixture is filtered overnight with vacuum. The cake is warmed on a steam bath in 250 ml. of hot water, filtered and washed with hot water. The combined filtrate and wash is cooled to 5° C. and the resulting crystals are collected by filtration giving disodium 5-nitrobenzene-1,3-disulfonate.
	With sulfuric acid; nitric acid	2 5,5', 5"-[1,3,6-Naphthalenetris(sulfonylimino)]tris-1,3-benzenedisulfonic acid hexaphenyl ester EXAMPLE 2 5,5', 5"-[1,3,6-Naphthalenetris(sulfonylimino)]tris-1,3-benzenedisulfonic acid hexaphenyl ester A 300 g amount of 1,3-benzenedisulfonic acid disodium salt is added to 400 ml of concentrated sulfuric acid in a 2 liter-three neck flask fitted with a stirrer, thermometer, condenser and a dropping funnel. The mixture is warmed to 80° C., then, without heating, 200 ml of fuming nitric acid is added dropwise maintaining the reaction temperature at 85°-89° C.. When the acid addition is complete the reaction mixture is heated at 85°-88° C. for an additional 4 hours then is allowed to cool overnight. The mixture is poured slowly into ice-water and neutralized to pH 5-6 with calcium hydroxide. The precipitate formed is filtered off and the filtrate is basified to pH 10 with sodium carbonate. Again the precipitate formed is filtered off and the filtrate is concentrated to a small volume. The resulting residue is dissolved in boiling water and filtered. A total of 82 g of 5-nitrobenzene-1,3-disulfonic acid disodium salt is obtained by cooling the filtrate and collecting the precipitate.

Reference： [1]Current Patent Assignee: PFIZER INC - US4208346, 1980, A
[2]Current Patent Assignee: PFIZER INC - US4117003, 1978, A

8
[ 14634-91-4 ]
[ 831-59-4 ]
tris(1,10-phenanthroline)iron(II), m-benzenedisulfonate salt [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With water In water recrystd. twice from water, air-dried at room temp., water of crystn. determined by Karl-Fischer method;

Reference： [1]Yokoyama, Haruhiko; Koyama, Yuko; Masuda, Yuichi [Chemistry Letters, 1988, # 8, p. 1453 - 1456]

9
copper(II) choride dihydrate [ No CAS ]
[ 74-79-3 ]
[ 831-59-4 ]
trans-[copper(II)(L-arginine)2](1,3-benzenedisulfonate) hexahydrate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
85%	With CH₃ONa In water stoich.; at room temp.; crysts. filtered; elem. anal.;

Reference： [1]Ohata, Nayumi; Masuda, Hideki; Yamauchi, Osamu [Inorganica Chimica Acta, 2000, vol. 300-302, p. 749 - 761]

10
bis(2,2'-bipyridine)dichlororuthenium(II) dihydrate [ No CAS ]
[ 1758-68-5 ]
[ 831-59-4 ]
[Ru(2,2'-bipyridine)2(1,2-diimino-9,10-anthraquinone)](1,3-benzenedisulfonate) * 6.5 H₂O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With MeOH; AgNO₃ In methanol byproducts: AgCl; stirring Ru-complex with AgNO3 for 5 h, filtration off of AgCl, addn. ofquinone (under Ar), stirring and refluxing for 24 h, filtration (in air ), evapn., dissoln. in water, filtration, extn. with CHCl3, addn. of disulfonate to aq. layer; crystn. on standing, storage in moist atmosphere; elem. anal.;

Reference： [1]Da Cunha, Carlos Jorge; Fielder, Scott S.; Stynes, Dennis V.; Masui, Hitoshi; Auburn, Pamela R.; Lever [Inorganica Chimica Acta, 1996, vol. 242, # 1-2, p. 293 - 302]

11
[ 831-59-4 ]
C₁₂H₉BrClNO₄S₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: trichlorophosphate / 100 °C 2: triethylamine / dichloromethane / 20 °C

Reference： [1]Current Patent Assignee: JOHNSON & JOHNSON INC - WO2013/96744, 2013, A1

12
[ 831-59-4 ]
[ 1445786-29-7 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: trichlorophosphate / 100 °C 2: triethylamine / dichloromethane / 20 °C 3: triethylamine / dichloromethane / 2 h / 20 °C

Reference： [1]Current Patent Assignee: JOHNSON & JOHNSON INC - WO2013/96744, 2013, A1

13
[ 66-71-7 ]
copper(II) choride dihydrate [ No CAS ]
[ 831-59-4 ]
[Cu(1,10-phenanthroline)₃](1,3-benzenedisulphonate)*7H₂O [ No CAS ]
[ 1612761-14-4 ]

Yield	Reaction Conditions	Operation in experiment
1: 11% 2: 35%	In ethanol; water for 0.5h; Reflux;	Synthesis of [Cu(phen)3](1,3-benzenedisulphonate₂)7H2O; 1 1.71 g (0.01 mol) CuCl2.2H2O was dissolved in 20 mL of ethanol taken in 100 mL round bottom flask. Added to it, a warm ethanolic solution of phen 3.96 g (0.02 mol)) with stirring. To the abovewarm solution, an aqueous solution of disodium salt of 1,3-benzenedisulphonic acid, 2.82 g (0.01 mol) was added. The resulting solution was refluxed for 30 min. After cooling the mixture to ambient temperature a light green product was obtained. It was filtered through a fine filter paper to obtain a bluish green clear filtrate and it was put a side at room temperature for evaporation. After two days we obtained mixture of bluish green crystals along with light green microcrystalline product. After drying in air,bluish green crystals (Fig. S1) were separated manually from the mixture of crystals. The newly synthesized 1 is freely soluble in methanol, partially soluble in water and decomposes at 303 C.Anal. Calcd. (%): C, 52.17; H, 4.34; N, 8.69; S, 6.62; Cu, 6.57. Found(%): C, 52.37; H, 4.18; N, 8.92; S, 6.78; Cu, 6.66.

Reference： [1]Sharma; Kumar; Saini; Venugopalan; Rodríguez-Diéguez; Salas [Journal of Molecular Structure, 2014, vol. 1071, # 1, p. 11 - 17]

14
[ 831-59-4 ]
C₈H₄F₆N₂O₈S₄^(2-)*C₁₁H₁₈N₄⁽²⁺⁾ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1.1: N,N-dimethyl-formamide; thionyl chloride / tetrahydrofuran / 26 h / 0 - 20 °C / Inert atmosphere 2.1: tetrahydrofuran / 0 °C / Inert atmosphere 2.2: 0 - 20 °C / Inert atmosphere 3.1: water / 1 h / 20 °C

Reference： [1]Aboudzadeh, M. Ali; Shaplov, Alexander S.; Hernandez, Guiomar; Vlasov, Petr S.; Lozinskaya, Elena I.; Pozo-Gonzalo, Cristina; Forsyth, Maria; Vygodskii, Yakov S.; Mecerreyes, David [Journal of Materials Chemistry A, 2015, vol. 3, # 5, p. 2338 - 2343]

15
[ 831-59-4 ]
C₁₃H₂₂N₄⁽²⁺⁾*C₈H₄F₆N₂O₈S₄^(2-) [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1.1: N,N-dimethyl-formamide; thionyl chloride / tetrahydrofuran / 26 h / 0 - 20 °C / Inert atmosphere 2.1: tetrahydrofuran / 0 °C / Inert atmosphere 2.2: 0 - 20 °C / Inert atmosphere 3.1: water / 1 h / 20 °C

16
[ 831-59-4 ]
C₁₁H₁₈N₄⁽²⁺⁾*C₈H₄N₄O₄S₂^(2-) [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1.1: N,N-dimethyl-formamide; thionyl chloride / tetrahydrofuran / 26 h / 0 - 20 °C / Inert atmosphere 2.1: tetrahydrofuran / 0 °C / Inert atmosphere 2.2: 0 - 20 °C / Inert atmosphere 3.1: water / 2 h / 20 °C

17
[ 831-59-4 ]
C₈H₆F₆N₂O₈S₄*2C₆H₁₅N [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1.1: N,N-dimethyl-formamide; thionyl chloride / tetrahydrofuran / 26 h / 0 - 20 °C / Inert atmosphere 2.1: tetrahydrofuran / 0 °C / Inert atmosphere 2.2: 0 - 20 °C / Inert atmosphere

18
[ 831-59-4 ]
[ 2633-66-1 ]
[ 103068-13-9 ]

Yield	Reaction Conditions	Operation in experiment
54%	With bis(tricyclohexylphosphine)nickel(II) dichloride In tetrahydrofuran at 60℃; for 48h; Sealed tube; Inert atmosphere;

Reference： [1]Malapit, Christian A.; Visco, Michael D.; Reeves, Jonathan T.; Busacca, Carl A.; Howell, Amy R.; Senanayake, Chris H. [Advanced Synthesis and Catalysis, 2015, vol. 357, # 10, p. 2199 - 2204]

19
C₁₉H₂₀F₂N₂O₂*ClH [ No CAS ]
[ 831-59-4 ]
C₄₄H₄₂F₄N₄O₈S₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
62.1 mg	Stage #1: 1,3-benzenedisulfonic acid disodium salt With thionyl chloride In N,N-dimethyl-formamide at 80℃; for 24h; Stage #2: C₁₉H₂₀F₂N₂O₂*ClH With triethylamine In dichloromethane; N,N-dimethyl-formamide at 20℃; for 19h;	187 Example 187 DMF (0.75 μ, 9.7 μιτιο) was added to a mixture of sodium benzene- 1,3-disulfonate (55%) (50 mg, 0.097 mmol) and SOCh (2.00 mL, 27.4 mmol) and the reaction mixture was stirred at 80 °C for 1 d and then concentrated under vacum. To the residue was added DCM (1 mL), and an HC1 salt of Intermediate 32 (74.6 mg, 0.19 mmol), followed by TEA (0.068 mL, 0.487 mmol) and the mixture was stirred at rt for 16 h. Additional HC1 salt of Intermediate 32 (50 mg) was added and the reaction mixture was stirred for 3 h. The reaction mixture was partitioned between EtOAc (2 x 20 mL) and water and the combined organic components were concentrated and purified by preparative HPLC to afford the title compound (62. lmg). LC-MS retention time = 2.45 min; m/z = 895.0 [M+H]+. (Column: Waters Acquity UPLC BEH CI 8, 2.1 x 50 mm, 1.7-μιη particles; Mobile Phase A: 5:95 acetonitrile:water with 10 mM ammonium acetate; Mobile Phase B: 95: 5 acetonitrile:water with 10 mM ammonium acetate; Temperature: 50 °C; Gradient: 0-100% B over 3 minutes, then a 0.75-minute hold at 100% B; Flow: 1.0 mL/min; Detection: UV at 220 nm).

Reference： [1]Current Patent Assignee: BRISTOL-MYERS SQUIBB CO - WO2016/172425, 2016, A1 Location in patent: Page/Page column 283

20
[ 831-59-4 ]
[ 36663-11-3 ]

Yield	Reaction Conditions	Operation in experiment
83%	With N-Bromosuccinimide; sulfuric acid at 20℃; for 12h;

Reference： [1]Beyer; Homburg; Albat; Stock; Lüning [New Journal of Chemistry, 2017, vol. 41, # 17, p. 8870 - 8876]

21
[ 831-59-4 ]
[ 126766-74-3 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1.1: N-Bromosuccinimide; sulfuric acid / 12 h / 20 °C 2.1: tetra(n-butyl)ammonium hydroxide / water / pH 7 2.2: 1 h / 220 °C / Microwave irradiation 2.3: 12 h / 120 °C

Reference： [1]Beyer; Homburg; Albat; Stock; Lüning [New Journal of Chemistry, 2017, vol. 41, # 17, p. 8870 - 8876]

22
bismuth (III) nitrate pentahydrate [ No CAS ]
[ 831-59-4 ]
6Bi⁽³⁺⁾*4O^(2-)*4HO^(1-)*3C₆H₄O₆S₂^(2-)*10H₂O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
78%	at 160℃; for 2h;

Reference： [1]Senevirathna, Dimuthu C.; Werrett, Melissa V.; Blair, Victoria L.; Mehring, Michael; Andrews, Philip C. [Chemistry - A European Journal, 2018, vol. 24, # 26, p. 6722 - 6726]

23
C₇₂H₇₆N₁₆O₈Pd₂⁽⁴⁺⁾*4NO₃^(1-) [ No CAS ]
[ 831-59-4 ]
C₇₂H₇₆N₁₆O₈Pd₂⁽⁴⁺⁾*C₆H₄O₆S₂^(2-) [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In d⁽⁴⁾-methanol; water-d2 at 22℃;

Reference： [1]Mesquita, Lígia M.; Anhäuser, Jana; Bellaire, Daniel; Becker, Sabine; Lützen, Arne; Kubik, Stefan [Organic Letters, 2019, vol. 21, # 16, p. 6442 - 6446]

24
C₄₂H₂₈Br₂CoN₆⁽²⁺⁾*2ClO₄^(1-)*3C₃H₇NO [ No CAS ]
[ 7732-18-5 ]
[ 831-59-4 ]
2H₂O*C₄₂H₂₈Br₂CoN₆⁽²⁺⁾*C₆H₄O₆S₂^(2-) [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
65%	In acetonitrile for 0.0833333h; Heating;

Reference： [1]Shao, Dong; Shi, Le; Shen, Fu-Xing; Wei, Xiao-Qin; Sato, Osamu; Wang, Xin-Yi [Inorganic Chemistry, 2019, vol. 58, # 17, p. 11589 - 11598]

25
[ 71-43-2 ]
[ 831-59-4 ]

Yield	Reaction Conditions	Operation in experiment
0.92 mmol	With sulfur trioxide; Sodium sulfate [anhydrous] at 60 - 165℃; for 3.5h;	1-3 Get 1mol benzene, 1.1mol liquid sulfur trioxide and 0.1mol sodium sulfate and add in the reactor, the reaction temperature was controlled at 60 °C, and the reaction was kept for 2 h.Continue to heat up to 165 ° C, continue to add 1.1 mol of liquid sulfur trioxide and continue to keep the reaction for 1.5 h, the reaction solution is neutralized, cooled, filtered and concentrated,Obtain 0.92mol sodium isophthalate crystal;

Reference： [1]Current Patent Assignee: UNIV QINGDAO SCIENCE and TECH - CN114835612, 2022, A Location in patent: Paragraph 0018-0020

26
[ 831-59-4 ]
[ 1126-34-7 ]

Yield	Reaction Conditions	Operation in experiment
0.83 mmol	With ammonium hydroxide at 135℃; for 4.5h;	1-3 The above-mentioned 0.92mol sodium isophthalate crystal,6.44mol 30% ammonia water was added to the reaction kettle, the temperature was raised to 135°C, the pressure was 5.6Mpa, and the reaction was kept for 4.5h.Obtain 0.83mol sodium m-aminobenzenesulfonate solution,The reaction solution was added with 5.81 mol of solid sodium hydroxide, dehydrated and heated to 285°C, and reacted for 3 hours.After the completion of the reaction, the temperature was lowered to 68 ° C, and the sodium sulfite was filtered out,The filtrate is acidified and filtered to obtain 0.76mol product m-aminophenol,The total yield of the three-step reaction was 76%, and the product purity was 98.5%.

Reference： [1]Current Patent Assignee: UNIV QINGDAO SCIENCE and TECH - CN114835612, 2022, A Location in patent: Paragraph 0018-0020

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P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 831-59-4 ] {[proInfo.proName]}

Quality Control of [ 831-59-4 ]

Related Doc. of [ 831-59-4 ]

Product Details of [ 831-59-4 ]

Safety of [ 831-59-4 ]

Application In Synthesis of [ 831-59-4 ]

[ 831-59-4 ] Synthesis Path-Downstream 1~26

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry