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Solvent Black 3
CAS: 4197-25-5 | C29H24N6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4197-25-5
Molecular Formula:
C29H24N6
Molecular Weight:
456.5530000000001 g/mol
Names and Synonyms:
Solvent Black 3
Polysolve Black 3
2,2-Dimethyl-6-[[4-(phenyldiazenyl)-1-naphthyl]diazenyl]-2,3-dihydro-1H-perimidine
(2,2-Dimethyl-1,3-dihydroperimidin-6-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene
Oil Black 141
Sudan Black BB
Sudan Black
Oil Black HZ
Chuo Sudan Black 141
NSC 11239
Oil Black 860
Sudan Black 141
Orient Oil Black 860
Fat Black HB 01
Aizen SOT Black 6
Neptune Black X 60
Solvent Black 3
SOT-Black 6
Sudan Black X 60
Orient Oil Black HBB
Oil Black HBB
2,3-Dihydro-2,2-dimethyl-6-[(4-phenylazo-1-naphthalenyl)-azo]-1H-perimidine
Sudan Deep Black BN
6-(1-Phenylazo-4-naphthylazo)-2,3-dihydro-2,2-dimethylperimidine
2,3-Dihydro-2,2-dimethyl-6-[[4-(phenylazo)-1-naphthyl]azo]perimidine
Typogen Black
Sudan Deep Black BB
Oil Black BT
Nubian Black BT
Lacquer Black VB
Lacquer Black S
Hexatype Black B
Fat Black HB
Fast Black HBN
Ceres Black BN
C.I. 26150
2,3-Dihydro-2,2-dimethyl-6-[2-[4-(2-phenyldiazenyl)-1-naphthalenyl]diazenyl]-1H-perimidine
1H-Perimidine, 2,3-dihydro-2,2-dimethyl-6-[[4-(phenylazo)-1-naphthalenyl]azo]-
C.I. Solvent Black 3
Sudan Black B
1H-Perimidine, 2,3-dihydro-2,2-dimethyl-6-[2-[4-(2-phenyldiazenyl)-1-naphthalenyl]diazenyl]-
Identifiers:
SMILES:
CC1(C)Nc2cccc3c(N=Nc4ccc(N=Nc5ccccc5)c5ccccc45)ccc(c23)N1
InChI:
InChI=1S/C29H24N6/c1-29(2)30-26-14-8-13-22-25(17-18-27(31-29)28(22)26)35-34-24-16-15-23(20-11-6-7-12-21(20)24)33-32-19-9-4-3-5-10-19/h3-18,30-31H,1-2H3
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 | 456.5530000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 456.206244768 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 35 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 6 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 5 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 73.5 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 9.397299999999998 | RDKit |
| molecular_mass | 456.55 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Solvent_Black_3 None | Legacy Database |
| cas-canonical-smile | N(=NC1=CC=C(N=NC2=CC=C3NC(NC4=CC=CC2=C43)(C)C)C=5C=CC=CC15)C=6C=CC=CC6 None | Legacy Database |
| cas-inchi | InChI=1S/C29H24N6/c1-29(2)30-26-14-8-13-22-25(17-18-27(31-29)28(22)26)35-34-24-16-15-23(20-11-6-7-12-21(20)24)33-32-19-9-4-3-5-10-19/h3-18,30-31H,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=YCUVUDODLRLVIC-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Sudan Black None | Legacy Database |
| wikipedia-name | Solvent Black 3 None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 144.0143999999998 | RDKit |
