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| CAS No.: | 1694-09-3 |
|---|---|
| Name: | Acid Violet 49 |
| Molecular Structure: | |
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| Formula: | C39H41N3O6S2·Na |
| Molecular Weight: | 734.88 |
| Synonyms: | Acid Violet 5B (6CI);Benzenemethanaminium, N-[4-[[4-(dimethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, hydroxide, inner salt, sodium salt;Benzenemethanaminium,N-[4-[[4-(dimethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-,inner salt, sodium salt (9CI);C.I. Acid Violet 49 (7CI);C.I. Acid Violet 49,sodium salt (8CI);A.F. Violet No. 1;Acid Fast Violet 5BN;Acid Violet 23184;Acid Violet 49;Acid Violet4BNP;Acid Violet 6B;Acid Violet S;Aizen Acid Violet 5BH;Atlantic Acid Violet 4BNS;Benzyl Violet;Benzyl Violet3B;Benzyl Violet 4B;Borunil Violet A-6B;C.I. 42640;C.I. Food Violet 2;Cogilor Violet 411.12;Coomassie Violet;Dinacid Violet4B;Dycosacid Violet 5B;Everacid Violet 4BR;FD and C VioletNo. 1;C Violet No. 1;Fast Acid Violet 5BN;Food Violet 2;Ichoacid Violet M;Kiton Violet 4BNS;Libacid Violet L4BS;Monacid Violet 4BS;Old Japan Violet 1;Orbacid Violet S 4B;Orient WaterViolet 1;Pergacid Violet 2B;RaviAcid Violet 4B;Serva Violet 49;Triacid Violet4BN;Violet 6B;Violet No. 1;Water Violet 1;Wool Violet 5BN; |
| EINECS: | 216-901-9 |
| Melting Point: | 245-250 °C |
| Boiling Point: | 100ºC |
| Appearance: | dark violet powder |
| Hazard Symbols: |
 Xn
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| Risk Codes: | 40 |
| Safety: | 36/37-53 |
| PSA: | 140.65000 |
| LogP: | 8.35040 |
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Consensus Reports
Specification
The Acid Violet 49, with the CAS registry number 1694-09-3, is also known as Benzenemethanaminium, N-[4-[[4-(dimethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, hydroxide, inner salt, sodium salt. It belongs to the product categories of Dyes and Pigments; Organics . Its EINECS number is 216-901-9. This chemical's molecular formula is C39H41N3O6S2·Na and molecular weight is 734.88. What's more, its systematic name is (4-((4-(Dimethylamino)phenyl)(4-(ethyl(3-sulphonatobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)(3-sulphonatobenzyl)ammonium, sodium salt. Its classification codes are: (1)Mutation data; (2)Tumor data. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. It is used for staining in wool, silk and nylon.
Physical properties of Acid Violet 49 are: (1)#H bond acceptors: 9; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 12; (4)Polar Surface Area: 123.99 Å2.
When you are using this chemical, please be cautious about it as the following:
This chemical has a limited evidence of a carcinogenic effect. When using it, you need wear suitable protective clothing and gloves. This chemical should be avoided exposure, and you need to obtain special instructions before use.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].O=S(=O)(O)c1cccc(c1)CN(c5ccc(/C(=C\2/C=C\C(=[N+](\C)C)/C=C/2)c4ccc(N(Cc3cccc(c3)S([O-])(=O)=O)CC)cc4)cc5)CC
(2)Std. InChI: InChI=1S/C39H41N3O6S2.Na/c1-5-41(27-29-9-7-11-37(25-29)49(43,44)45)35-21-15-32(16-22-35)39(31-13-19-34(20-14-31)40(3)4)33-17-23-36(24-18-33)42(6-2)28-30-10-8-12-38(26-30)50(46,47)48;/h7-26H,5-6,27-28H2,1-4H3,(H-,43,44,45,46,47,48);/q;+1
(3)Std. InChIKey: AXMCIYLNKNGNOT-UHFFFAOYSA-N