Solvent violet 13

Base Information

• Chemical Name: Solvent violet 13
• CAS No.: 81-48-1
• Deprecated CAS: 12217-81-1,50922-59-3,54328-11-9,64925-48-0,70956-28-4,74665-60-4,59459-27-7,1342-19-4,143928-77-2,666832-51-5,1342-19-4,143928-77-2,50922-59-3,59459-27-7,64925-48-0,70956-28-4,74665-60-4
• Molecular Formula: C21H15NO3
• Molecular Weight: 329.355
• Hs Code.: 32041990
• European Community (EC) Number: 201-353-5,601-910-6
• NSC Number: 2856
• UNII: 350KA7O6HK
• DSSTox Substance ID: DTXSID1026293
• Nikkaji Number: J11.611D
• Wikipedia: Solvent_Violet_13
• Wikidata: Q7559031
• NCI Thesaurus Code: C71669
• RXCUI: 1426924
• ChEMBL ID: CHEMBL3181893
• Mol file: 81-48-1.mol

Synonyms:Solvent violet 13;81-48-1;Disperse Blue 72;D&C Violet 2;ALIZUROL PURPLE;D&C Violet No. 2;Irisol base;Quinizarin Blue;Resiren Blue TR;C.I. Solvent Violet 13;Waxoline Purple A;Resolin Blue RRL;Resorin Blue RRL;Sumikaron Violet B;Resiren Blue TR-P;1-Hydroxy-4-(p-toluidino)anthraquinone;1-Hydroxy-4-(p-tolylamino)anthracene-9,10-dione;D+C Violet No. 2;11092 Violet;Alizarine Irisol R Base;Ahcoquinone Blue IR Base;Alizarine Violet 3B Base;1-Hydroxy-4-p-toluidinoanthraquinone;D and C Violet No. 2;C.I. Disperse Blue 72;Dispersol Violet B-G;Duranol Brilliant Violet TG;Transetile Violet P 3B;C.I. 60725;D & C Violet no. 2;Modr disperzni 72;CI 60725;12217-81-1;CI Disperse Blue 72;CI Solvent Violet 13;4-Hydroxy-1-(p-toluidino)anthraquinone;Anthraquinone, 1-hydroxy-4-p-toluidino-;Violet rozpoustedlova 13;NSC 2856;1-hydroxy-4-(4-methylanilino)anthracene-9,10-dione;N-(4-Hydroxy-1-anthraquinonyl)-p-toluidine;N-(p-Tolyl)-4-hydroxy-1-anthraquinonylamine;Duranol Brilliant Violet 7G;Modr Disperzni 72 [Czech];N-(4-Hydroxy-1-anthraquinonyl)-4-methylaniline;CCRIS 7073;HSDB 1958;Violet rozpoustedlova 13 [Czech];EINECS 201-353-5;9,10-Anthracenedione, 1-hydroxy-4-[(4-methylphenyl)amino]-;BRN 2163109;UNII-350KA7O6HK;AI3-16428;350KA7O6HK;DTXSID1026293;9,10-Anthracenedione, 1-hydroxy-4-((4-methylphenyl)amino)-;C21H15NO3;NSC-2856;1342-19-4;1-Hydroxy-4-((4-methylphenyl)amino)-9,10-anthracenedione;Anthraquinone, 1-hydroxy-4-(p-toluidino)-;4-14-00-00893 (Beilstein Handbook Reference);D& Violet 2;D&C Violet No.2;MURASAKI201;DC VIOLET NO. 2;VIOLET 2 [INCI];SANDOPLAST VIOLET RSB;SCHEMBL39659;MURASAKI201 [INCI];ALIZUROL PURPLE [HSDB];D & C VIOLET NO.2;DTXCID906293;CHEMBL3181893;NSC2856;CI 60725 [INCI];SOLVENT VIOLET 13 [INCI];Tox21_202902;MFCD00019148;1-hydroxy-4-(p-toluidino)anthraquinon;AKOS000668467;CS-W020930;LS-1809;CAS-81-48-1;NCGC00260448-01;WLN: L C666 BV IVJ DQ GMR D1;C.I.60725;1- hydroxy- 4- (p- toluidino)anthraquinone;9, 1-hydroxy-4-[(4-methylphenyl)amino]-;FT-0688087;Q0022;E83036;1-Hydroxy-4-(4-toluidino)anthra-9,10-quinone #;A840143;Q7559031;6-O-(TRIISOPROPYLSILYL)-D-GALACTALCYCLICCARBONATE;1- hydroxy- 4- (p- toluidino)anthraquinone (CI 60725);1-hydroxy-4-[(4-methylphenyl)amino]anthra-9,10-quinone

Chemical Property of Solvent violet 13

Chemical Property:

• Vapor Pressure: 0Pa at 25℃
• Melting Point: 142-143oC
• Refractive Index: 1.5614 (estimate)
• Boiling Point: 520.7 °C at 760 mmHg
• PKA: 8.00±0.20(Predicted)
• Flash Point: 268.7 °C
• PSA: 66.40000
• Density: 1.373 g/cm³
• LogP: 4.29260
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Water Solubility.: 9.3μg/L at 25℃
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 329.10519334
• Heavy Atom Count: 25
• Complexity: 525

Purity/Quality:

98% ^*data from raw suppliers

1-Hydroxy-4-(p-tolylamino)anthracene-9,10-dione ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Dyes -> Anthraquinone Dyes
• Canonical SMILES: CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O

Technology Process of Solvent violet 13

There total 14 articles about Solvent violet 13 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 94.0%

→ cyclohexane + 1-hydroxy-4-(4-methylphenylamino)-9,10-anthraquinone (81-48-1,1342-19-4)

Guidance literature:

Reference yield: 91.2%

leucoquinizarin (476-60-8) + 1,4-dihydroxy-9,10-anthracenedione (81-64-1,103220-12-8) + p-toluidine (106-49-0,12221-03-3) → 1-hydroxy-4-(4-methylphenylamino)-9,10-anthraquinone (81-48-1,1342-19-4)

Guidance literature:

With N-n-butyl-N'-ethylimidazolium chloride; at 80 - 100 ℃; Temperature; Large scale;

Reference yield: 88.3%

1-methyl-4-nitrobenzene (99-99-0) + 1,4-dihydroxy-9,10-anthracenedione (81-64-1,103220-12-8) → 1-hydroxy-4-(4-methylphenylamino)-9,10-anthraquinone (81-48-1,1342-19-4)

Guidance literature:

With hydrogen; boric acid; iron; In methanol; at 60 - 1000 ℃; for 8h; Temperature; Autoclave; Inert atmosphere;

upstream raw materials:

1,4-dihydroxy-9,10-anthracenedione

p-toluidine hydrochloride

9,10-Dihydroxy-2,3-dihydro-anthracene-1,4-dione

p-toluidine

Downstream raw materials:

4-(4-hydroxy-9,10-dioxo-9,10-dihydro-[1]anthrylamino)-toluene-3-sulfonic acid

Refernces

• 1、 -. "Plastic colorant purple B and preparation method thereof". Paragraph 0022-0080. . Retrieved 2021/02/06.
• 2、 -. "Synthesis method of environment-friendly solvent violet 13 with low toxicity and low harm". Paragraph 0028; 0031-0052. . Retrieved 2020/01/03.