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| CAS No.: | 3520-42-1 |
|---|---|
| Name: | SULFORHODAMINE B |
| Molecular Structure: | |
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| Formula: | C27H29N2O7S2.Na |
| Molecular Weight: | 580.658 |
| Synonyms: | Ammonium,[6-(diethylamino)-9-(2,4-disulfophenyl)-3H-xanthen-3-ylidene]diethyl-,hydroxide, inner salt, sodium salt (8CI);C.I. Acid Red 52 (6CI);Xanthylium,3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, hydroxide, inner salt, sodiumsalt;Xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, inner salt,sodium salt (9CI);Acid Leather Red KB;Acid Red 52;Acid Red B-SF;Acid Rhodamine B;Acid Rose B;Amacid Rhodamine B;Amido Rhodamine B;Brilliant Superlan Rhodamine 2B;Brilliant Superlan Rhodamine B;C.I. 45100;Colocid Rhodamine B;Conacid Red EB;Covasol Red W 4002;Daiwa IJ Red 207H;DinacidRhodamine B;Duasyn Acid Rhodamine B 01;Dyacid Red 4B;Dycosacid Rhodamine B;Food Color Red No.106;Food Red 106;Food Red No. 106;Hispacid Brilliant Pink B;Japan Red 106;Japan Red No. 106;Kayacyl Rhodamine FB;Kayaku Acid Rhodamine BH;Kiton Red 620;Kiton Red S;Kiton Rhodamine B;Kyton Red;Libacid Rhodamine LB;Lissamine Rhodamine B;Nylosan Rhodamine B;Pacid Rhodamine B;Phloxinerhodamine;Pro-Jet Red OAM;Rakuto Acid Rhodamine;Ravi Acid Rhodamine B;Red 106;Sandolan Rhodamine E-B400;Simacid Red 23011;Solar Rhodamine B;Sulfacid Brilliant Pink 3B;SulfacidBrilliant Pink 3B 1150;Sulforhodamin B;Vibra Color Red ARE 52;Vicoacid Red 52Y;Xylene Red B; |
| EINECS: | 222-529-8 |
| Density: | 1.472[at 20℃] |
| Solubility: | methanol: 1 mg/mL |
| Appearance: | Deep red powder |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/37/38 |
| Safety: | 22-24/25 |
| PSA: | 150.78000 |
| LogP: | 7.81310 |
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- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
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- 3520-42-1
sulforhodamine B
- 62796-29-6
rhodamine B sulfonyl chloride
| Conditions | Yield |
|---|---|
| With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 16h; | 88% |
| With oxalyl dichloride | |
| With oxalyl dichloride In dichloromethane; N,N-dimethyl-formamide at 0 - 20℃; for 3.5h; | |
| With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 22h; Inert atmosphere; |
| Conditions | Yield |
|---|---|
| With triethylamine In N,N-dimethyl-formamide at 20℃; Darkness; | 76% |
| Conditions | Yield |
|---|---|
| In methanol for 2h; | 50% |
- 258864-54-9
trihexyl(tetradecyl)phosphonium chloride
- 3520-42-1
sulforhodamine B
| Conditions | Yield |
|---|---|
| In methanol; dichloromethane for 24h; |
- 3520-42-1
sulforhodamine B
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: oxalyl dichloride 2: triethylamine 3: hydrogenchloride / water View Scheme |
- 3520-42-1
sulforhodamine B
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: oxalyl dichloride / dichloromethane; N,N-dimethyl-formamide / 3.5 h / 0 - 20 °C View Scheme |
| Conditions | Yield |
|---|---|
| In water at 20 - 85℃; for 1h; | 5.93 g |
| Conditions | Yield |
|---|---|
| In water at 20 - 85℃; for 1h; | 6.1 g |
| Conditions | Yield |
|---|---|
| In dichloromethane |
- 3520-42-1
sulforhodamine B
| Conditions | Yield |
|---|---|
| With calcium chloride In water at 20 - 30℃; for 1h; | |
| With calcium chloride In water at 20 - 30℃; for 1h; |
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Specification
The Sulforhodamine B is an organic compound with the formula C27H29N2O7S2.Na. The IUPAC name of this chemical is sodium 4-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzene-1,3-disulfonate. With the CAS registry number 3520-42-1, it is also named as Sodium 4-[3,6-bis(diethylamino)-9-xantheniumyl]-1,3-benzenedisulfonate. The product's categories are Organics; Analytical Chemistry; Food Colors by Food Sanitation Law in Japan; Stains, Dyes and Indicators; Cell Viability and Proliferation; Reagents and Supplements; S; Stains and Dyes; Stains&Dyes, A to. Besides, it is a deep red powder, which should be stored in a dark dry and well-ventilated place. It is primarily used as a polar tracer and mainly used for dyeing of silk, nylon, wool and other fabric. When you are using it, do not breathe dust and avoid contact with skin and eyes.
Physical properties about Sulforhodamine B are: (1)#H bond acceptors: 9; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 8; (4)Polar Surface Area: 140.98 Å2.
Preparation: this chemical can be prepared by m-diethylamino-phenol and 4-formyl-m-benzenedisulfonic acid.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[O-]S(=O)(=O)c4ccc(C=1c3c(OC=2C=1\C=C/C(=[N+](/CC)CC)/C=2)cc(cc3)N(CC)CC)c(c4)S([O-])(=O)=O
(2)InChI: InChI=1/C27H30N2O7S2.Na/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35;/h9-17H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);/q;+1/p-1
(3)InChIKey: SXQCTESRRZBPHJ-REWHXWOFAI
(4)Std. InChI: InChI=1S/C27H30N2O7S2.Na/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35;/h9-17H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);/q;+1/p-1
(5)Std. InChIKey: SXQCTESRRZBPHJ-UHFFFAOYSA-M
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 10300mg/kg (10300mg/kg) | Osaka-furitsu Eisei Kenkyusho Hokoku. Vol. (4), Pg. 43, 1957. |