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| CAS No.: | 2945-96-2 |
|---|---|
| Name: | Direct Grey D |
| Molecular Structure: | |
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| Formula: | C24H21N6NaO5S |
| Molecular Weight: | 528.52 |
| Synonyms: | 2-Naphthalenesulfonicacid,6-amino-3-[[4-[(4-aminophenyl)azo]-2-methoxy-5-methylphenyl]azo]-4-hydroxy-,monosodium salt (9CI);C.I. Direct Black 17 (7CI);C.I. Direct Black 17,monosodium salt (8CI);Zambesi Black D (6CI);Azogen BlackD;Benzamin Black DS;Benzo Grey LBGV;C.I. 27700;Carbide Black DU;Chloramine Black SD;Chrome Leather Black D;Diaphtogene Black D;Diazine Black DR;Diazo Black D;DiazoFast Black MD;Diazol Black SD;Diazophenyl Black D;Direct Fast Black D;Direct Gray D;Direct Grey D;DurazolGray B;Giuba Black D;IndigeneBlack D;Japanol Fast Black D;Kayaku Direct FastBlack D;Phenazo Black D;Pyrazol Black D;Telon FastBlack PE;Vondacel Black D;ZambesiBlack DA-CF; |
| EINECS: | 220-955-9 |
| Appearance: | Grey Powder |
| PSA: | 196.52000 |
| LogP: | 8.00490 |
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Chemistry
Molecule structure of C.I. Direct Black 17 (CAS NO.2945-96-2):
IUPAC Name: Sodium (3Z)-6-amino-3-[[4-(4-aminophenyl)diazenyl-2-methoxy-5-methylphenyl]hydrazinylidene]-4-oxonaphthalene-2-sulfonate
Molecular Weight: 528.51551 g/mol
Molecular Formula: C24H21N6NaO5S
H-Bond Donor: 3
H-Bond Acceptor: 11
Rotatable Bond Count: 6
Tautomer Count: 9
Exact Mass: 528.119183
MonoIsotopic Mass: 528.119183
Topological Polar Surface Area: 185
Heavy Atom Count: 37
Complexity: 1010
Canonical SMILES: CC1=CC(=C(C=C1N=NC2=CC=C(C=C2)N)OC)NN=C3C(=CC4=C(C3=O)C=C(C=C4)N)S=O)(=O)[O-].[Na+]
Isomeric SMILES: CC1=CC(=C(C=C1N=NC2=CC=C(C=C2)N)OC)N/N=C/3\C(=CC4=C(C3=O)C=C(C=C4)N)S(=O)(=O)[O-].[Na+]
InChI: InChI=1S/C24H22N6O5S.Na/c1-13-9-20(21(35-2)12-19(13)28-27-17-7-5-15(25)6-8-17)29-30-23-22(36(32,33)34)10-14-3-4-16(26)11-18(14)24(23)31;/h3-12,29H,25-26H2,1-2H3,(H,32,33,34);/q;+1/p-1/b28-27?,30-23+;
InChIKey: ZMSCBCOFMPQOOB-LWKZWVBISA-M
EINECS: 220-955-9
Product Categories: Dyes and Pigments; Organics
Uses
C.I. Direct Black 17 (CAS NO.2945-96-2) is mainly used for cotton, linen, rayon and other cellulose fiber fabric dyeing and also used for silk, nylon and blended fabric dyeing, rayon and silk fabrics. It can also be used for printing.
Toxicity Data With Reference
| 1. | mmo-sat 100 µg/plate | MUREAV Mutation Research. 68 (1979),307. | ||
| 2. | mmo-sat 100 µg/plate | MUREAV Mutation Research. 68 (1979),307. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx and SOx.
Specification
C.I. Direct Black 17 (CAS NO.2945-96-2) is also named as 6-Amino-3-((4-((4-aminophenyl)azo)-2-methoxy-5-methylphenyl)azo)-4-hydroxy-2-naphthalenesulfonic acid, sodium salt ; Azine Fast Black D ; Azogen Black D ; Benzamin Black DS ; Benzanil Fast Black D ; Benzo Grey LBGV ; C.I. 27700 ; C.I. Direct Black 17, monosodium salt ; Carbide Black D ; Chrome leather Black D ; Diacotton Fast Black D ; Diazo Fast Black D ; Diazo Fast Black MD ; Diazol Black SD ; Hispadiazo Black D ; Indigene Black D ; Japanol Fast Black D ; Kayaku Direct Fast Black D ; Mitsui Direct Black D ; Phenazo Black D ; Telon Fast Black PE ; Tertrodirect Black ZD ; Triamine Black D ; Vondacel Black D ; Zambesi Black D ; Zambesi Black DA-CF . C.I. Direct Black 17 (CAS NO.2945-96-2) is black powder.