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Molecule
Direct Black 19
CAS: 6428-31-5 · C34H29N13Na2O7S2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6428-31-5
- Molecular Formula
- C34H29N13Na2O7S2
- Molecular Mass
- 841.80 g/mol
Identifiers
CAS Registry Number
6428-31-5
SMILES
Nc1ccc(N=Nc2ccc(N=Nc3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(N=Nc5ccc(N=Nc6ccc(N)cc6N)cc5)c(O)c4c3N)cc2)c(N)c1.[Na].[Na]
InChI Key
JUXVLJKHWACNJB-UHFFFAOYSA-N
InChI
InChI=1S/C34H29N13O7S2.2Na/c35-18-1-11-26(24(37)15-18)44-40-20-3-7-22(8-4-20)42-46-32-28(55(49,50)51)13-17-14-29(56(52,53)54)33(34(48)30(17)31(32)39)47-43-23-9-5-21(6-10-23)41-45-27-12-2-19(36)16-25(27)38;;/h1-16,48H,35-39H2,(H,49,50,51)(H,52,53,54);;
Names and Synonyms
- Direct Black 19 Common Name
- 2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis[2-[4-[2-(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]-5-hydroxy-, sodium salt (1:2) Synonym
- Direct Black 19 Synonym
- Coranil Direct Black B Synonym
- Water Black 100 Synonym
- Kayarus Black G Conc. Synonym
- Water Black P 200 Synonym
- Water Black 200L Synonym
- Orient Water Black 100L Synonym
- Orient Water Black 200L Synonym
- Daiwa Black 320H Synonym
- Orient P 200 Synonym
- Water Black 100L Synonym
- Direct Lightfast Black G Synonym
- Orient Water Black 108L Synonym
- Direct Black L 3BG Synonym
- Cibafix Direct Black 19 Synonym
- Orient Water Black 7 Synonym
- Water Black 7 Synonym
- Water Black 108L Synonym
- Bonjet Black 891L Synonym
- Water Black L 200 Synonym
- Orient Water Black L 200 Synonym
- Kayafect Black LW Synonym
- C.I. Direct Black 19, disodium salt Synonym
- 2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis[[4-[(2,4-diaminophenyl)azo]phenyl]azo]-5-hydroxy-, disodium salt Synonym
- C.I. 35255 Synonym
- Artificial Silk Black G Synonym
- Artificial Silk Black GN Synonym
- Artificial Silk Black GR Synonym
- Atlantic Artificial Silk Black G Synonym
- Bali Viscose Black G Synonym
- Bencidal Fast Black G Synonym
- Bali Viscose Black N Synonym
- Benzanil Fast Black G Synonym
- Benzo Fast Black G Synonym
- Benzoform Black RRA-CF Synonym
- Chlorazol Viscose Black B Synonym
- Chrome Leather Black GNA Synonym
- Columbia Fast Black G Synonym
- Columbia Fast Black GB Synonym
- Cutamin Black CG Synonym
- Diamine Fast Black B Synonym
- Diaphtamine Fast Black KG Synonym
- Direct Artificial Silk Black G Synonym
- Direct Fast Black G Synonym
- Direct Fast Black GU Synonym
- Direct Fast Black SA Synonym
- Direct Rayon Black KSG Synonym
- Fenamin Black GR Synonym
- Formal Fast Black 2B Synonym
- Hispamin Fast Black CG Synonym
- Indoblack GR Synonym
- Kayarus Black G Synonym
- Phenamine Viscose Black RR Synonym
- Pyrazol Fast Black GS Synonym
- Rayon Black G Synonym
- Rayon Black M Synonym
- Rayon Black GSN Synonym
- Rayon Fast Black B Synonym
- Solar Black G Synonym
- Sumilight Black G Synonym
- Tertrodirect Black V Synonym
- Tetrazo Deep Black GC Extra Synonym
- Visco Black N Synonym
- Viscose Black G Synonym
- Viscose Black J Synonym
- Viscose Black GNA Synonym
- Viscose Black N Synonym
- Viscose Black NG Synonym
- Vondacel Black VG Synonym
- Vondacel Black VN Synonym
- C.I. Direct Black 19 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 841.80 g/mol | CAS Common Chemistry |
| 841.8039999999997 g/mol | RDKit | |
| 841.804 g/mol | RDKit | |
| 843.806 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=S(=O)(O)C1=CC2=CC(=C(N=NC3=CC=C(N=NC4=CC=C(N)C=C4N)C=C3)C(N)=C2C(O)=C1N=NC5=CC=C(N=NC6=CC=C(N)C=C6N)C=C5)S(=O)(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C34H29N13O7S2.2Na/c35-18-1-11-26(24(37)15-18)44-40-20-3-7-22(8-4-20)42-46-32-28(55(49,50)51)13-17-14-29(56(52,53)54)33(34(48)30(17)31(32)39)47-43-23-9-5-21(6-10-23)41-45-27-12-2-19(36)16-25(27)38;;/h1-16,48H,35-39H2,(H,49,50,51)(H,52,53,54);; | CAS Common Chemistry |
| InChI Key | InChIKey=JUXVLJKHWACNJB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Direct Black 19 | CAS Common Chemistry |
| Heavy Atom Count | 58 | RDKit |
| Hydrogen Bond Acceptors | 18 | RDKit |
| Hydrogen Bond Donors | 8 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 6 | RDKit |
| Topological Polar Surface Area | 357.94999999999993 Ų | RDKit |
| 357.95 Ų | RDKit | |
| LogP | 7.849800000000005 | RDKit |
| 7.8498 | RDKit | |
| Molar Refractivity | 221.28399999999993 cm³/mol | RDKit |
| Ring Count | 6 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 841.1549708279999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 841.80 g/mol. Edit any field — others recompute live.
