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Molecule
Dbnpa
CAS: 10222-01-2 · C3H2Br2N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 10222-01-2
- Molecular Formula
- C3H2Br2N2O
- Molecular Mass
- 241.87 g/mol
Identifiers
CAS Registry Number
10222-01-2
SMILES
N#CC(Br)(Br)C(=N)O
InChI Key
UUIVKBHZENILKB-UHFFFAOYSA-N
InChI
InChI=1S/C3H2Br2N2O/c4-3(5,1-6)2(7)8/h(H2,7,8)
Names and Synonyms
- Dbnpa Synonym
- Acetamide, 2,2-dibromo-2-cyano- Synonym
- 2,2-Dibromo-2-cyanoacetamide Synonym
- 2,2-Dibromo-3-nitrilopropionamide Synonym
- DBNPA Synonym
- Dibromocyanoacetamide Synonym
- DBNPA 7287 Synonym
- Biomate 723 Synonym
- Amerstat 300 Synonym
- Dibromonitrilopropionamide Synonym
- X-CIDE 508 Synonym
- X-CIDE 509 Synonym
- NSC 98283 Synonym
- Dowicil QK 20 Synonym
- 2-Cyano-2,2-dibromoacetamide Synonym
- BE 3S Synonym
- 2,2-Dibromo-3-nitrilopropanamide Synonym
- Mucosin NT Synonym
- Busan 94 Synonym
- Dow antimicrobial 7287 Synonym
- Odycide B 340 Synonym
- AM 7287 Synonym
- QK 20 Synonym
- Thor DB 20 Synonym
- DB 20 Synonym
- 2,2-Dibromo-3-3-trifluoropropionamide Synonym
- Dow bactericide 7287 Synonym
- Fennosan R 20 Synonym
- Aqucar DB 20 Synonym
- Bioban DB 20 Synonym
- Aqucar RO 20 Synonym
- Acticide DBW Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 241.87 g/mol | CAS Common Chemistry |
| Wikipedia Url | https://en.wikipedia.org/wiki/DBNPA | CAS Common Chemistry |
| Boiling Point | 123-126 °C | CAS Common Chemistry |
| Canonical SMILES | N#CC(Br)(Br)C(=O)N | CAS Common Chemistry |
| InChI | InChI=1S/C3H2Br2N2O/c4-3(5,1-6)2(7)8/h(H2,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=UUIVKBHZENILKB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 123-126 °C | CAS Common Chemistry |
| Name | 2,2-Dibromo-3-nitrilopropionamide | CAS Common Chemistry |
| DBNPA | CAS Common Chemistry | |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 67.87 Ų | RDKit |
| LogP | 1.5313500000000002 | RDKit |
| 1.5314 | RDKit | |
| Molar Refractivity | 36.55349999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 239.853386884 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 241.87 g/mol. Edit any field — others recompute live.
