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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 Weight:
783.7600000000001 g/mol
Names and Synonyms:
Direct Black 38
Chloramine Carbon Black S
Chloramine Black XO
Chloramine Black EXR
Chloramine Black EX
Chloramine Black ERT
Chloramine Black EC
Chloramine Black C
Carbide Black E
Calcomine Black EXL
Calcomine Black
Brilliant Chrome Leather Black H
Brasilamina Black GN
Black 4EMBL
Black 2EMBL
Benzo Leather Black E
Benzoform Black BCN-CF
Benzo Deep Black E
Benzanil Black E
Bencidal Black E
Belamine Black GX
Azomine Black EWO
Azocard Black EW
Azine Deep Black EW
Atul Direct Black E
Atlantic Black SD
Atlantic Black GXOO
Atlantic Black GXCW
Atlantic Black GG
Atlantic Black GAC
Atlantic Black EA
Atlantic Black BD
Atlantic Black E
Atlantic Black C
Apomine Black GX
Amanil Black WD
Amanil Black GL
Aizen Direct Deep Black RH
Aizen Direct Deep Black GH
Aizen Direct Deep Black EH
Airedale Black ED
Ahco Direct Black GX
C.I. 30235
Chlorazol Black E
C.I. Direct Black 38
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, disodium salt
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)
Black FR
Direct Black BN
NSC 8679
Chlorozol Black E
Direct Deep Black WX
Direct Black ZSh
Direct Deep Black E-EX
Coranil Direct Black F
Phenamine Black E 200
Direct Deep Black E Extra
Direct Black EX
Direct Deep Black EX
Direct Black 38
Direct Black Z
Vondacel Black N
Union Black EM
Tetrazo Deep Black G
Tertrodirect Black EFD
Tertrodirect Black E
Telon Fast Black E
Seristan Black B
Sandopel Black EX
Pontamine Black EBN
Pontamine Black E
Pheno Black SGN
Pheno Black EP
Phenamine Black CL
Phenamine Black BCN-CF
Phenamine Black E
Peeramine Black GXOO
Peeramine Black E
Paramine Black E
Paramine Black B
Paper Deep Black C
Paper Black BA
Paper Black T
Nippon Deep Black GX
Nippon Deep Black
Mitsui Direct Black GX
Mitsui Direct Black EX
Meta Black
Lurazol Black BA
Kayaku Direct Special Black AAX
Kayaku Direct Leather Black EX
Kayaku Direct Deep Black GX
Kayaku Direct Deep Black EX
Kayaku Direct Deep Black S
Interchem Direct Black Z
Hispamin Black EF
Formic Black TG
Formic Black MTG
Formic Black EA
Formic Black CW
Formic Black C
Formaline Black C
Fixanol Black E
Fibre Black VF
Fenamin Black E
Erie Fibre Black VP
Erie Brilliant Black S
Erie Black RXOO
Erie Black NUG
Erie Black JET
Erie Black GXOO
Erie Black GAC
Erie Black BF
Erie Black B
Enianil Black CN
Direct Deep Black EW
Direct Deep Black EA-CF
Direct Deep Black EAC
Direct Deep Black E
Direct Black WS
Direct Black SD
Direct Black RX
Direct Black methyl
Direct Black Meta
Direct Black JET
Direct Black GXR
Direct Black GX
Direct Black GW
Direct Black GAC
Direct Black FR
Direct Black N
Direct Black E
Direct Black EW
Direct Black CXR
Direct Black CX
Direct Black BRN
Direct Black A
Diphenyl Deep Black G
Diazol Black 2V
Diazine Direct Black G
Diazine Direct Black E
Diazine Black E
Diaphtamine Black V
Diamine Direct Black E
Diamine Deep Black EC
Diacotton Deep Black RX
Diacotton Deep Black
Columbia Black EP
Coir Deep Black C
Chrome Leather Brilliant Black ER
Chrome Leather Black EM
Chrome Leather Black EC
Chrome Leather Black G
Chrome Leather Black E
Chlorazol Silk Black G
Chlorazol Leather Black ENP
Chlorazol Burl Black E
Chlorazol Black EN
Chlorazol Black EA
Chloramine Carbon Black SN
Chloramine Carbon Black SJ
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 783.7600000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 783.1270247639998 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 54 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 14 count | RDKit |
| Hydrogen Bond Donors | 6 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 9 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 6 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 281.18999999999994 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 7.9370000000000065 | RDKit |
| molecular_mass | 783.76 g/mol | Legacy Database |
| cas-canonical-smile | [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 None | Legacy Database |
| cas-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);; None | Legacy Database |
| cas-inchi-key | InChIKey=BPSJKGMNBUOTKY-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Direct Black 38 None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 207.27719999999982 | RDKit |
