Back to Search
Brilliant Green (Dye)
CAS: 633-03-4 | C27H34N2O4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
633-03-4
Molecular Formula:
C27H34N2O4S
Molecular Weight:
482.6460000000001 g/mol
Names and Synonyms:
Brilliant Green (Dye)
Common Name
Brilliant green aseptic
Synonym
Basic Brilliant Green
Synonym
Brilliant Green YNS
Synonym
Brilliant Green
Synonym
Brilliant Green Special
Synonym
Tokyo Aniline Brilliant Green
Synonym
Tertrophene Brilliant Green G
Synonym
Solid Green
Synonym
Mitsui Brilliant Green GX
Synonym
Malachite Green G
Synonym
Hidaco Brilliant Green
Synonym
Green EN
Synonym
Fast Green JJO
Synonym
Fast Green J
Synonym
Ethyl green
Synonym
Diamond Green G
Synonym
Deorlene Green JJO
Synonym
Calcozine Brilliant Green G
Synonym
Brilliant Lake Green Y
Synonym
Brilliant Green YN
Synonym
Brilliant Green WP Crystals
Synonym
Brilliant Green Sulfate
Synonym
Brilliant Green Lake
Synonym
Brilliant Green GX
Synonym
Brilliant Green DSC
Synonym
Brilliant Green Crystals H
Synonym
Brilliant Green Crystals
Synonym
Brilliant Green Y
Synonym
Brilliant Green P
Synonym
Brilliant Green G
Synonym
Brilliant Green B
Synonym
Brilliant Green BP Crystals
Synonym
Brilliant Green BPC
Synonym
Basic Green V
Synonym
Avon Green A 4379
Synonym
Astra Diamond Green GX
Synonym
Aizen Diamond Green GH
Synonym
ADC Brilliant Green Crystals
Synonym
C.I. 42040
Synonym
12415 Green
Synonym
C.I. Basic Green 1
Synonym
Fluka Brilliant Green
Synonym
Diamond Green GH
Synonym
NSC 5011
Synonym
Resplendency Green
Synonym
Brilliant Green BP
Synonym
Astrazon Green D
Synonym
Basic Green 1
Synonym
Basic Bright Green
Synonym
Aizen Malachite Green GH
Synonym
Basic Bright Green Sulfate
Synonym
Ethanaminium, N-[4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, sulfate (1:1)
Synonym
Identifiers:
SMILES:
CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccccc2)cc1.O=S(=O)([O-])O
InChI:
InChI=1S/C27H33N2.H2O4S/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;1-5(2,3)4/h9-21H,5-8H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| cas-name | Brilliant Green None | Legacy Database |
| LogP | 4.958600000000004 | RDKit |
| molecular_mass | 482.65 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Brilliant_green_(dye) None | Legacy Database |
| cas-canonical-smile | O=S(=O)([O-])O.C=1C=CC(=CC1)C(C2=CC=C(C=C2)N(CC)CC)=C3C=CC(C=C3)=[N+](CC)CC None | Legacy Database |
| cas-inchi | InChI=1S/C27H33N2.H2O4S/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;1-5(2,3)4/h9-21H,5-8H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1 None | Legacy Database |
| cas-inchi-key | InChIKey=NNBFNNNWANBMTI-UHFFFAOYSA-M None | Legacy Database |
| cas-melting-point | 210 °C (decomp) None | Legacy Database |
| wikipedia-name | Brilliant green (dye) None | Legacy Database |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 482.6460000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 482.22392856799985 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 34 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 7 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 83.68 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 139.4223999999999 | RDKit |