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Molecule
Direct Black 38
CAS: 1937-37-7 · C34H27N9Na2O7S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1937-37-7
- Molecular Formula
- C34H27N9Na2O7S2
- Molecular Mass
- 783.76 g/mol
Identifiers
CAS Registry Number
1937-37-7
SMILES
Nc1ccc(N=Nc2ccc(-c3ccc(N=Nc4c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)c(N=Nc6ccccc6)c(O)c5c4N)cc3)cc2)c(N)c1.[Na].[Na]
InChI Key
BPSJKGMNBUOTKY-UHFFFAOYSA-N
InChI
InChI=1S/C34H27N9O7S2.2Na/c35-22-10-15-27(26(36)18-22)41-38-24-11-6-19(7-12-24)20-8-13-25(14-9-20)40-42-32-28(51(45,46)47)16-21-17-29(52(48,49)50)33(34(44)30(21)31(32)37)43-39-23-4-2-1-3-5-23;;/h1-18,44H,35-37H2,(H,45,46,47)(H,48,49,50);;
Names and Synonyms
- Direct Black 38 Common Name
- Chloramine Carbon Black SJ Synonym
- Chloramine Carbon Black SN Synonym
- Chlorazol Black EA Synonym
- Chlorazol Black EN Synonym
- Chlorazol Burl Black E Synonym
- Chlorazol Leather Black ENP Synonym
- Chlorazol Silk Black G Synonym
- Chrome Leather Black E Synonym
- Chrome Leather Black G Synonym
- Chrome Leather Black EC Synonym
- Chrome Leather Black EM Synonym
- Chrome Leather Brilliant Black ER Synonym
- Coir Deep Black C Synonym
- Columbia Black EP Synonym
- Diacotton Deep Black Synonym
- Diacotton Deep Black RX Synonym
- Diamine Deep Black EC Synonym
- Diamine Direct Black E Synonym
- Diaphtamine Black V Synonym
- Diazine Black E Synonym
- Diazine Direct Black E Synonym
- Diazine Direct Black G Synonym
- Diazol Black 2V Synonym
- Diphenyl Deep Black G Synonym
- Direct Black A Synonym
- Direct Black BRN Synonym
- Direct Black CX Synonym
- Direct Black CXR Synonym
- Direct Black EW Synonym
- Direct Black E Synonym
- Direct Black N Synonym
- Direct Black FR Synonym
- Direct Black GAC Synonym
- Direct Black GW Synonym
- Direct Black GX Synonym
- Direct Black GXR Synonym
- Direct Black JET Synonym
- Direct Black Meta Synonym
- Direct Black methyl Synonym
- Direct Black RX Synonym
- Direct Black SD Synonym
- Direct Black WS Synonym
- Direct Deep Black E Synonym
- Direct Deep Black EAC Synonym
- Direct Deep Black EA-CF Synonym
- Direct Deep Black EW Synonym
- Enianil Black CN Synonym
- Erie Black B Synonym
- Erie Black BF Synonym
- Erie Black GAC Synonym
- Erie Black GXOO Synonym
- Erie Black JET Synonym
- Erie Black NUG Synonym
- Erie Black RXOO Synonym
- Erie Brilliant Black S Synonym
- Erie Fibre Black VP Synonym
- Fenamin Black E Synonym
- Fibre Black VF Synonym
- Fixanol Black E Synonym
- Formaline Black C Synonym
- Formic Black C Synonym
- Formic Black CW Synonym
- Formic Black EA Synonym
- Formic Black MTG Synonym
- Formic Black TG Synonym
- Hispamin Black EF Synonym
- Interchem Direct Black Z Synonym
- Kayaku Direct Deep Black S Synonym
- Kayaku Direct Deep Black EX Synonym
- Kayaku Direct Deep Black GX Synonym
- Kayaku Direct Leather Black EX Synonym
- Kayaku Direct Special Black AAX Synonym
- Lurazol Black BA Synonym
- Meta Black Synonym
- Mitsui Direct Black EX Synonym
- Mitsui Direct Black GX Synonym
- Nippon Deep Black Synonym
- Nippon Deep Black GX Synonym
- Paper Black T Synonym
- Paper Black BA Synonym
- Paper Deep Black C Synonym
- Paramine Black B Synonym
- Paramine Black E Synonym
- Peeramine Black E Synonym
- Peeramine Black GXOO Synonym
- Phenamine Black E Synonym
- Phenamine Black BCN-CF Synonym
- Phenamine Black CL Synonym
- Pheno Black EP Synonym
- Pheno Black SGN Synonym
- Pontamine Black E Synonym
- Pontamine Black EBN Synonym
- Sandopel Black EX Synonym
- Seristan Black B Synonym
- Telon Fast Black E Synonym
- Tertrodirect Black E Synonym
- Tertrodirect Black EFD Synonym
- Tetrazo Deep Black G Synonym
- Union Black EM Synonym
- Vondacel Black N Synonym
- Direct Black Z Synonym
- Direct Black 38 Synonym
- Direct Deep Black EX Synonym
- Direct Black EX Synonym
- Direct Deep Black E Extra Synonym
- Phenamine Black E 200 Synonym
- Coranil Direct Black F Synonym
- Direct Deep Black E-EX Synonym
- Direct Black ZSh Synonym
- Direct Deep Black WX Synonym
- Chlorozol Black E Synonym
- NSC 8679 Synonym
- Direct Black BN Synonym
- Black FR Synonym
- 2,7-Naphthalenedisulfonic acid, 4-amino-3-[2-[4′-[2-(2,4-diaminophenyl)diazenyl][1,1′-biphenyl]-4-yl]diazenyl]-5-hydroxy-6-(2-phenyldiazenyl)-, sodium salt (1:2) Synonym
- C.I. Direct Black 38, disodium salt Synonym
- 2,7-Naphthalenedisulfonic acid, 4-amino-3-[[4′-[(2,4-diaminophenyl)azo][1,1′-biphenyl]-4-yl]azo]-5-hydroxy-6-(phenylazo)-, disodium salt Synonym
- C.I. Direct Black 38 Synonym
- Chlorazol Black E Synonym
- C.I. 30235 Synonym
- Ahco Direct Black GX Synonym
- Airedale Black ED Synonym
- Aizen Direct Deep Black EH Synonym
- Aizen Direct Deep Black GH Synonym
- Aizen Direct Deep Black RH Synonym
- Amanil Black GL Synonym
- Amanil Black WD Synonym
- Apomine Black GX Synonym
- Atlantic Black C Synonym
- Atlantic Black E Synonym
- Atlantic Black BD Synonym
- Atlantic Black EA Synonym
- Atlantic Black GAC Synonym
- Atlantic Black GG Synonym
- Atlantic Black GXCW Synonym
- Atlantic Black GXOO Synonym
- Atlantic Black SD Synonym
- Atul Direct Black E Synonym
- Azine Deep Black EW Synonym
- Azocard Black EW Synonym
- Azomine Black EWO Synonym
- Belamine Black GX Synonym
- Bencidal Black E Synonym
- Benzanil Black E Synonym
- Benzo Deep Black E Synonym
- Benzoform Black BCN-CF Synonym
- Benzo Leather Black E Synonym
- Black 2EMBL Synonym
- Black 4EMBL Synonym
- Brasilamina Black GN Synonym
- Brilliant Chrome Leather Black H Synonym
- Calcomine Black Synonym
- Calcomine Black EXL Synonym
- Carbide Black E Synonym
- Chloramine Black C Synonym
- Chloramine Black EC Synonym
- Chloramine Black ERT Synonym
- Chloramine Black EX Synonym
- Chloramine Black EXR Synonym
- Chloramine Black XO Synonym
- Chloramine Carbon Black S Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 783.76 g/mol | CAS Common Chemistry |
| 783.7600000000001 g/mol | RDKit | |
| 785.762 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=S(=O)(O)C1=CC2=CC(=C(N=NC3=CC=C(C=C3)C=4C=CC(N=NC5=CC=C(N)C=C5N)=CC4)C(N)=C2C(O)=C1N=NC=6C=CC=CC6)S(=O)(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C34H27N9O7S2.2Na/c35-22-10-15-27(26(36)18-22)41-38-24-11-6-19(7-12-24)20-8-13-25(14-9-20)40-42-32-28(51(45,46)47)16-21-17-29(52(48,49)50)33(34(44)30(21)31(32)37)43-39-23-4-2-1-3-5-23;;/h1-18,44H,35-37H2,(H,45,46,47)(H,48,49,50);; | CAS Common Chemistry |
| InChI Key | InChIKey=BPSJKGMNBUOTKY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Direct Black 38 | CAS Common Chemistry |
| Heavy Atom Count | 54 | RDKit |
| Hydrogen Bond Acceptors | 14 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 6 | RDKit |
| Topological Polar Surface Area | 281.18999999999994 Ų | RDKit |
| 281.19 Ų | RDKit | |
| LogP | 7.9370000000000065 | RDKit |
| 7.937 | RDKit | |
| Molar Refractivity | 207.27719999999982 cm³/mol | RDKit |
| Ring Count | 6 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 783.1270247639998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
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MW = 783.76 g/mol. Edit any field — others recompute live.
