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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
Names and Synonyms:
Direct Black 38
Chloramine Carbon Black SJ
Chloramine Carbon Black SN
Chlorazol Black EA
Chlorazol Black EN
Chlorazol Burl Black E
Chlorazol Leather Black ENP
Chlorazol Silk Black G
Chrome Leather Black E
Chrome Leather Black G
Chrome Leather Black EC
Chrome Leather Black EM
Chrome Leather Brilliant Black ER
Coir Deep Black C
Columbia Black EP
Diacotton Deep Black
Diacotton Deep Black RX
Diamine Deep Black EC
Diamine Direct Black E
Diaphtamine Black V
Diazine Black E
Diazine Direct Black E
Diazine Direct Black G
Diazol Black 2V
Diphenyl Deep Black G
Direct Black A
Direct Black BRN
Direct Black CX
Direct Black CXR
Direct Black EW
Direct Black E
Direct Black N
Direct Black FR
Direct Black GAC
Direct Black GW
Direct Black GX
Direct Black GXR
Direct Black JET
Direct Black Meta
Direct Black methyl
Direct Black RX
Direct Black SD
Direct Black WS
Direct Deep Black E
Direct Deep Black EAC
Direct Deep Black EA-CF
Direct Deep Black EW
Enianil Black CN
Erie Black B
Erie Black BF
Erie Black GAC
Erie Black GXOO
Erie Black JET
Erie Black NUG
Erie Black RXOO
Erie Brilliant Black S
Erie Fibre Black VP
Fenamin Black E
Fibre Black VF
Fixanol Black E
Formaline Black C
Formic Black C
Formic Black CW
Formic Black EA
Formic Black MTG
Formic Black TG
Hispamin Black EF
Interchem Direct Black Z
Kayaku Direct Deep Black S
Kayaku Direct Deep Black EX
Kayaku Direct Deep Black GX
Kayaku Direct Leather Black EX
Kayaku Direct Special Black AAX
Lurazol Black BA
Meta Black
Mitsui Direct Black EX
Mitsui Direct Black GX
Nippon Deep Black
Nippon Deep Black GX
Paper Black T
Paper Black BA
Paper Deep Black C
Paramine Black B
Paramine Black E
Peeramine Black E
Peeramine Black GXOO
Phenamine Black E
Phenamine Black BCN-CF
Phenamine Black CL
Pheno Black EP
Pheno Black SGN
Pontamine Black E
Pontamine Black EBN
Sandopel Black EX
Seristan Black B
Telon Fast Black E
Tertrodirect Black E
Tertrodirect Black EFD
Tetrazo Deep Black G
Union Black EM
Vondacel Black N
Direct Black Z
Direct Black 38
Direct Deep Black EX
Direct Black EX
Direct Deep Black E Extra
Phenamine Black E 200
Coranil Direct Black F
Direct Deep Black E-EX
Direct Black ZSh
Direct Deep Black WX
Chlorozol Black E
NSC 8679
Direct Black BN
Black FR
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)
C.I. Direct Black 38, disodium salt
2,7-Naphthalenedisulfonic acid, 4-amino-3-[[4′-[(2,4-diaminophenyl)azo][1,1′-biphenyl]-4-yl]azo]-5-hydroxy-6-(phenylazo)-, disodium salt
C.I. Direct Black 38
Chlorazol Black E
C.I. 30235
Ahco Direct Black GX
Airedale Black ED
Aizen Direct Deep Black EH
Aizen Direct Deep Black GH
Aizen Direct Deep Black RH
Amanil Black GL
Amanil Black WD
Apomine Black GX
Atlantic Black C
Atlantic Black E
Atlantic Black BD
Atlantic Black EA
Atlantic Black GAC
Atlantic Black GG
Atlantic Black GXCW
Atlantic Black GXOO
Atlantic Black SD
Atul Direct Black E
Azine Deep Black EW
Azocard Black EW
Azomine Black EWO
Belamine Black GX
Bencidal Black E
Benzanil Black E
Benzo Deep Black E
Benzoform Black BCN-CF
Benzo Leather Black E
Black 2EMBL
Black 4EMBL
Brasilamina Black GN
Brilliant Chrome Leather Black H
Calcomine Black
Calcomine Black EXL
Carbide Black E
Chloramine Black C
Chloramine Black EC
Chloramine Black ERT
Chloramine Black EX
Chloramine Black EXR
Chloramine Black XO
Chloramine Carbon Black S
Identifiers:
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:
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);;
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 783.76 g/mol | CAS Common Chemistry |
| 783.7600000000001 g/mol | RDKit | |
| 783.1270247639998 g/mol | RDKit | |
| 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 |
| LogP | 7.9370000000000065 | RDKit |
| Molar Refractivity | 207.27719999999982 | RDKit |
