Back to Search
Chrome Dark Blue
CAS: 1058-92-0 | C16H11ClN2Na2O9S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1058-92-0
Molecular Formula:
C16H11ClN2Na2O9S2
Molecular Weight:
520.8360000000001 g/mol
Names and Synonyms:
Chrome Dark Blue
Synonym
2,7-Naphthalenedisulfonic acid, 3-[2-(5-chloro-2-hydroxyphenyl)diazenyl]-4,5-dihydroxy-, sodium salt (1:2)
Synonym
C.I. Mordant Blue 13, disodium salt
Synonym
Eriochrome Blue SE
Synonym
C.I. Mordant Blue 13
Synonym
2,7-Naphthalenedisulfonic acid, 3-[(5-chloro-2-hydroxyphenyl)azo]-4,5-dihydroxy-, disodium salt
Synonym
C.I. 16680
Synonym
Acid Alizarine Blue B
Synonym
Acid Chrome Blue A
Synonym
Acid Chrome Dark Blue
Synonym
Acid Chrome Navy Blue B
Synonym
Alizarine Blue B
Synonym
Alizarine Chrome Blue B
Synonym
Atlantichrome Blue B
Synonym
Azochromol Blue B
Synonym
Chrome Blue BL
Synonym
Chrome Fast Blue 2B
Synonym
Chrome Fast Navy Blue B
Synonym
Diamond Fast Blue BL
Synonym
Fast Mordant Blue B
Synonym
Java Chrome Fast Blue B
Synonym
Magracrom Blue A
Synonym
Mitsui Chrome Fast Blue BX
Synonym
Mordant Blue B
Synonym
Omega Chrome Fast Blue B
Synonym
Omega Chrome Fast Blue BHA
Synonym
Plasmo Corinth
Synonym
Showa Fast Mordant Blue B
Synonym
Sunchromine Fast Blue MB
Synonym
Symulon Fast Mordant Blue B
Synonym
Tertrochrome Blue MB
Synonym
Plasmocorinth B
Synonym
Calcium fast purple
Synonym
Diacromo Blue SB
Synonym
Disodium 1,8-dihydroxy-2-(2-hydroxy-5-chlorophenylazo)-3,6-naphthalenedisulfonate
Synonym
Alizarin Blue B
Synonym
Mordant Blue 13
Synonym
Chrome Dark Blue
Synonym
Orbokrom Blue BL
Synonym
Erio SE
Synonym
Chrome Blue SE
Synonym
Omega Chrome Fast Blue BI
Synonym
Chromium dark blue
Synonym
Identifiers:
SMILES:
O=S(=O)(O)c1cc(O)c2c(O)c(N=Nc3cc(Cl)ccc3O)c(S(=O)(=O)O)cc2c1.[Na].[Na]
InChI:
InChI=1S/C16H11ClN2O9S2.2Na/c17-8-1-2-11(20)10(5-8)18-19-15-13(30(26,27)28)4-7-3-9(29(23,24)25)6-12(21)14(7)16(15)22;;/h1-6,20-22H,(H,23,24,25)(H,26,27,28);;
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 | 520.8360000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 519.938988172 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 32 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 9 count | RDKit |
| Hydrogen Bond Donors | 5 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 3 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 194.14999999999998 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.757200000000002 | RDKit |
| molecular_mass | 520.84 g/mol | Legacy Database |
| cas-canonical-smile | [Na].O=S(=O)(O)C=1C=C(O)C2=C(O)C(N=NC3=CC(Cl)=CC=C3O)=C(C=C2C1)S(=O)(=O)O None | Legacy Database |
| cas-inchi | InChI=1S/C16H11ClN2O9S2.2Na/c17-8-1-2-11(20)10(5-8)18-19-15-13(30(26,27)28)4-7-3-9(29(23,24)25)6-12(21)14(7)16(15)22;;/h1-6,20-22H,(H,23,24,25)(H,26,27,28);; None | Legacy Database |
| cas-inchi-key | InChIKey=FBMLEMHVQQPBOJ-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Chrome Dark Blue None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 115.70760000000003 | RDKit |