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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 Mass:
456.55 g/mol
Names and Synonyms:
Solvent Black 3
1H-Perimidine, 2,3-dihydro-2,2-dimethyl-6-[2-[4-(2-phenyldiazenyl)-1-naphthalenyl]diazenyl]-
Sudan Black B
C.I. Solvent Black 3
1H-Perimidine, 2,3-dihydro-2,2-dimethyl-6-[[4-(phenylazo)-1-naphthalenyl]azo]-
2,3-Dihydro-2,2-dimethyl-6-[2-[4-(2-phenyldiazenyl)-1-naphthalenyl]diazenyl]-1H-perimidine
C.I. 26150
Ceres Black BN
Fast Black HBN
Fat Black HB
Hexatype Black B
Lacquer Black S
Lacquer Black VB
Nubian Black BT
Oil Black BT
Sudan Deep Black BB
Typogen Black
2,3-Dihydro-2,2-dimethyl-6-[[4-(phenylazo)-1-naphthyl]azo]perimidine
6-(1-Phenylazo-4-naphthylazo)-2,3-dihydro-2,2-dimethylperimidine
Sudan Deep Black BN
2,3-Dihydro-2,2-dimethyl-6-[(4-phenylazo-1-naphthalenyl)-azo]-1H-perimidine
Oil Black HBB
Orient Oil Black HBB
Sudan Black X 60
SOT-Black 6
Solvent Black 3
Neptune Black X 60
Aizen SOT Black 6
Fat Black HB 01
Orient Oil Black 860
Sudan Black 141
Oil Black 860
NSC 11239
Chuo Sudan Black 141
Oil Black HZ
Sudan Black
Sudan Black BB
Oil Black 141
(2,2-Dimethyl-1,3-dihydroperimidin-6-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene
2,2-Dimethyl-6-[[4-(phenyldiazenyl)-1-naphthyl]diazenyl]-2,3-dihydro-1H-perimidine
Polysolve Black 3
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 456.55 g/mol | CAS Common Chemistry |
| 456.5530000000001 g/mol | RDKit | |
| 456.206244768 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 |
| Molar Refractivity | 144.0143999999998 | RDKit |
