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Direct Black 19
CAS: 6428-31-5 | C34H29N13Na2O7S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6428-31-5
Molecular Formula:
C34H29N13Na2O7S2
Molecular Weight:
841.8039999999997 g/mol
Names and Synonyms:
Direct Black 19
C.I. Direct Black 19
Vondacel Black VN
Vondacel Black VG
Viscose Black NG
Viscose Black N
Viscose Black GNA
Viscose Black J
Viscose Black G
Visco Black N
Tetrazo Deep Black GC Extra
Tertrodirect Black V
Sumilight Black G
Solar Black G
Rayon Fast Black B
Rayon Black GSN
Rayon Black M
Rayon Black G
Pyrazol Fast Black GS
Phenamine Viscose Black RR
Kayarus Black G
Indoblack GR
Hispamin Fast Black CG
Formal Fast Black 2B
Fenamin Black GR
Direct Rayon Black KSG
Direct Fast Black SA
Direct Fast Black GU
Direct Fast Black G
Direct Artificial Silk Black G
Diaphtamine Fast Black KG
Diamine Fast Black B
Cutamin Black CG
Columbia Fast Black GB
Columbia Fast Black G
Chrome Leather Black GNA
Chlorazol Viscose Black B
Benzoform Black RRA-CF
Benzo Fast Black G
Benzanil Fast Black G
Bali Viscose Black N
Bencidal Fast Black G
Bali Viscose Black G
Atlantic Artificial Silk Black G
Artificial Silk Black GR
Artificial Silk Black GN
Artificial Silk Black G
C.I. 35255
2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis[[4-[(2,4-diaminophenyl)azo]phenyl]azo]-5-hydroxy-, disodium salt
C.I. Direct Black 19, disodium salt
Kayafect Black LW
Orient Water Black L 200
Water Black L 200
Bonjet Black 891L
Water Black 108L
Water Black 7
Orient Water Black 7
Cibafix Direct Black 19
Direct Black L 3BG
Orient Water Black 108L
Direct Lightfast Black G
Water Black 100L
Orient P 200
Daiwa Black 320H
Orient Water Black 200L
Orient Water Black 100L
Water Black 200L
Water Black P 200
Kayarus Black G Conc.
Water Black 100
Coranil Direct Black B
Direct Black 19
2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis[2-[4-[2-(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]-5-hydroxy-, sodium salt (1:2)
Identifiers:
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:
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);;
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 841.8039999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 841.1549708279999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 58 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 18 count | RDKit |
| Hydrogen Bond Donors | 8 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 10 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 6 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 357.94999999999993 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 7.849800000000005 | RDKit |
| molecular_mass | 841.80 g/mol | Legacy Database |
| cas-canonical-smile | [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 None | Legacy Database |
| cas-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);; None | Legacy Database |
| cas-inchi-key | InChIKey=JUXVLJKHWACNJB-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Direct Black 19 None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 221.28399999999993 | RDKit |
