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| Name |
C.I.Acid Red 172 |
EINECS | 229-902-4 |
| CAS No. | 6826-53-5 | Density | N/A |
| PSA | 239.89000 | LogP | 9.42600 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C30H24ClN3O10S3. 2Na | Boiling Point | N/A |
| Molecular Weight | 762.13 | Flash Point | N/A |
| Transport Information | N/A | Appearance | purple red powder |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2,7-Naphthalenedisulfonicacid,3-[[5-chloro-2-(phenylmethoxy)phenyl]azo]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-,disodium salt (9CI);C.I. Acid Red 172, disodium salt (8CI);Acid Brilliant Red3B;Brilliant Milling Red 3B;Brilliant Red 2B;C.I. 18135;C.I. Acid Red 172;Polar Brilliant Red 3B;Suminol Milling Brilliant Red 3BN;Triacid Fast Red3BNL;ACID RED 172; |
C.I.Acid Red 172 Specification
The C.I.Acid Red 172 , with cas registry number of 6826-53-5, belongs to the categorie of Dyes and Pigments. Its EINECS registry number is 229-902-4. Its systematic name is also known as disodium (3E)-3-{2-[2-(benzyloxy)-5-chlorophenyl]hydrazinylidene}-5-{[(4-methylphenyl)sulfonyl]amino}-4-oxo-3,4-dihydronaphthalene-2,7-disulfonate . This chemical is purple red powder. It is soluble in water. It can be used to dye wool fabrics.
Physical properties about this chemical are: (1) ACD/LogP: 4.35 ; (2) # of Rule of 5 Violations: 2 ; (3) #H bond acceptors: 13 ; (4) #H bond donors: 4 ; (5) #Freely Rotating Bonds: 9 ; (6) Polar Surface Area: 213.16 Å2.
You can still convert the following datas into molecular structure:
(1) SMILES:[Na+].[Na+].[O-]S(=O)(=O)c4cc(c3c(\C=C(/C(=N/Nc2cc(Cl)ccc2OCc1ccccc1)C3=O)S([O-])(=O)=O)c4)NS(=O)(=O)c5ccc(cc5)C;
(2) InChI:InChI=1/C30H24ClN3O10S3.2Na/c1-18-7-10-22(11-8-18)45(36,37)34-25-16-23(46(38,39)40)13-20-14-27(47(41,42)43)29(30(35)28(20)25)33-32-24-15-21(31)9-12-26(24)44-17-19-5-3-2-4-6-19;;/h2-16,32,34H,17H2,1H3,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2/b33-29-;;;
(3) InChIKey:ZRRRQKIGTYVHBV-KYRYUEOGBE
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