Back to Search
Molecule
Dinoseb
CAS: 88-85-7 · C10H12N2O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 88-85-7
- Molecular Formula
- C10H12N2O5
- Molecular Mass
- 240.21 g/mol
Identifiers
CAS Registry Number
88-85-7
SMILES
CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
InChI Key
OWZPCEFYPSAJFR-UHFFFAOYSA-N
InChI
InChI=1S/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3
Names and Synonyms
- Dinoseb Common Name
- Phenol, 2-(1-methylpropyl)-4,6-dinitro- Synonym
- Phenol, 2-sec-butyl-4,6-dinitro- Synonym
- 2-(1-Methylpropyl)-4,6-dinitrophenol Synonym
- BNP 30 Synonym
- DN 289 Synonym
- Butaphene Synonym
- 2-sec-Butyl-4,6-dinitrophenol Synonym
- Chemox P.E. Synonym
- 4,6-Dinitro-2-(1-methyl-n-propyl)phenol Synonym
- Dinoseb Synonym
- DNOSBP Synonym
- DNSBP Synonym
- Dow General Synonym
- 4,6-Dinitro-2-sec-butylphenol Synonym
- 4,6-Dinitro-o-sec-butylphenol Synonym
- BNP 20 Synonym
- Dibutox Synonym
- DNBP Synonym
- Liro DNBP Synonym
- 2,4-Dinitro-6-sec-butylphenol Synonym
- DBNF Synonym
- WSX 8365 Synonym
- 2,4-Dinitro-6-(1-methylpropyl)phenol Synonym
- Dytop Synonym
- Laseb Synonym
- Aatox Synonym
- Hivertox Synonym
- Ladob Synonym
- Desicoil Synonym
- 6-sec-Butyl-2,4-dinitrophenol Synonym
- Butaphen Synonym
- Premerge Synonym
- Blaartox Synonym
- 4,6-Dinitro-2-(2-butyl)phenol Synonym
- Dibutox 20CE Synonym
- NSC 202753 Synonym
- Super Kabrol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 240.21 g/mol | CAS Common Chemistry |
| 240.21499999999997 g/mol | RDKit | |
| 240.215 g/mol | RDKit | |
| Density | 1.26 g/cm³ | CAS Common Chemistry |
| 1.2647 g/cm3 @ 45 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dinoseb | CAS Common Chemistry |
| Boiling Point | 332 °C | CAS Common Chemistry |
| Canonical SMILES | O=N(=O)C=1C=C(C(O)=C(C1)C(C)CC)N(=O)=O | CAS Common Chemistry |
| InChI | InChI=1S/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OWZPCEFYPSAJFR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 38-42 °C | CAS Common Chemistry |
| Name | Dinoseb | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 106.51 Ų | RDKit |
| 96.83 Ų | chempirical lib | |
| LogP | 2.7221000000000015 | RDKit |
| 2.7221 | RDKit | |
| Molar Refractivity | 60.12160000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 240.074621484 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.
External Resources
Convert
Quick conversion
MW = 240.21 g/mol; density = 1.260 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H12N2O5.
