Kehua AI (Shenzhen) Innovative Drug R&D Co., Ltd.    Healthy Roots Biotechnology (Shenzhen) Co., Limited    Joint Development

1. Primary Information

English name: C.I. Direct Black 38
CAS No.: 1937-37-7
Molecular formula: C34H25N9NA2O7S2
Molecular weight: 781.7 g/mol
SMILES: C1=CC=C(C=C1)N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC4=CC=C(C=C4)C5=CC=C(C=C5)N=NC6=C(C=C(C=C6)N)N)N)O.[Na+].[Na+]
Structural class:
Other identifiers:

2-naphthalenesulfonic acid, 6-amino-4-hydroxy-3-((4-(phenylazo)-1-naphthalenyl)azo)-, monosodium salt

4-amino-3-((4'-((2,4-diaminophenyl)azo)-4- biphenylyl)azo)-5-hydroxy-6-(phenylazo)-2,7- naphthalenedisulfonic acid, disodium salt

chlorazol black E

direct black 3

direct black 38

2. Suppliers & Pricing

Supplier Pack size Purity Price (CNY) Storage conditions Lead time Notes
Kehua Intelligence 5g Dye content, ≥45%(based on Nitrogen) 56 RT in stock -
Kehua Intelligence 25g Dye content, ≥45%(based on Nitrogen) 96 RT in stock -
Kehua Intelligence 100g Dye content, ≥45%(based on Nitrogen) 312 RT in stock -

3. Structures

3.1 2D structure


3.2 3D structure

Coming soon

4. International Nomenclature & Identifiers

4.1 IUPAC Name

disodium;4-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]phenyl]phenyl]diazenyl]-5-hydroxy-6-phenyldiazenylnaphthalene-2,7-disulfonate


4.2 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);;/q;2*+1/p-2


4.3 InChIKey

XRPLBRIHZGVJIC-UHFFFAOYSA-L


4.4 Canonical SMILES

C1=CC=C(C=C1)N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC4=CC=C(C=C4)C5=CC=C(C=C5)N=NC6=C(C=C(C=C6)N)N)N)O.[Na+].[Na+]


4.5 Isomeric SMILES

-

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon
-- No 3D model data available --