Back to Search
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 Mass
- 456.55 g/mol
Identifiers
CAS Registry Number
4197-25-5
SMILES
CC1(C)Nc2cccc3c(N=Nc4ccc(N=Nc5ccccc5)c5ccccc45)ccc(c23)N1
InChI Key
YCUVUDODLRLVIC-UHFFFAOYSA-N
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
Names and Synonyms
- Solvent Black 3 Common Name
- 1H-Perimidine, 2,3-dihydro-2,2-dimethyl-6-[2-[4-(2-phenyldiazenyl)-1-naphthalenyl]diazenyl]- Synonym
- Sudan Black B Synonym
- C.I. Solvent Black 3 Synonym
- 1H-Perimidine, 2,3-dihydro-2,2-dimethyl-6-[[4-(phenylazo)-1-naphthalenyl]azo]- Synonym
- 2,3-Dihydro-2,2-dimethyl-6-[2-[4-(2-phenyldiazenyl)-1-naphthalenyl]diazenyl]-1H-perimidine Synonym
- C.I. 26150 Synonym
- Ceres Black BN Synonym
- Fast Black HBN Synonym
- Fat Black HB Synonym
- Hexatype Black B Synonym
- Lacquer Black S Synonym
- Lacquer Black VB Synonym
- Nubian Black BT Synonym
- Oil Black BT Synonym
- Sudan Deep Black BB Synonym
- Typogen Black Synonym
- 2,3-Dihydro-2,2-dimethyl-6-[[4-(phenylazo)-1-naphthyl]azo]perimidine Synonym
- 6-(1-Phenylazo-4-naphthylazo)-2,3-dihydro-2,2-dimethylperimidine Synonym
- Sudan Deep Black BN Synonym
- 2,3-Dihydro-2,2-dimethyl-6-[(4-phenylazo-1-naphthalenyl)-azo]-1H-perimidine Synonym
- Oil Black HBB Synonym
- Orient Oil Black HBB Synonym
- Sudan Black X 60 Synonym
- SOT-Black 6 Synonym
- Solvent Black 3 Synonym
- Neptune Black X 60 Synonym
- Aizen SOT Black 6 Synonym
- Fat Black HB 01 Synonym
- Orient Oil Black 860 Synonym
- Sudan Black 141 Synonym
- Oil Black 860 Synonym
- NSC 11239 Synonym
- Chuo Sudan Black 141 Synonym
- Oil Black HZ Synonym
- Sudan Black Synonym
- Sudan Black BB Synonym
- Oil Black 141 Synonym
- (2,2-Dimethyl-1,3-dihydroperimidin-6-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene Synonym
- 2,2-Dimethyl-6-[[4-(phenyldiazenyl)-1-naphthyl]diazenyl]-2,3-dihydro-1H-perimidine Synonym
- Polysolve Black 3 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 456.55 g/mol | CAS Common Chemistry |
| 456.5530000000001 g/mol | RDKit | |
| 456.553 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Solvent_Black_3 | CAS Common Chemistry |
| Canonical SMILES | N(=NC1=CC=C(N=NC2=CC=C3NC(NC4=CC=CC2=C43)(C)C)C=5C=CC=CC15)C=6C=CC=CC6 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=YCUVUDODLRLVIC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sudan Black | CAS Common Chemistry |
| Solvent Black 3 | CAS Common Chemistry | |
| Heavy Atom Count | 35 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 5 | RDKit |
| Topological Polar Surface Area | 73.5 Ų | RDKit |
| LogP | 9.397299999999998 | RDKit |
| 9.3973 | RDKit | |
| Molar Refractivity | 144.0143999999998 cm³/mol | RDKit |
| Ring Count | 6 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1034 | RDKit |
| 0.1 | chempirical lib | |
| Exact Mass | 456.206244768 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
