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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
Names and Synonyms:
Dbnpa
Acetamide, 2,2-dibromo-2-cyano-
2,2-Dibromo-2-cyanoacetamide
2,2-Dibromo-3-nitrilopropionamide
DBNPA
Dibromocyanoacetamide
DBNPA 7287
Biomate 723
Amerstat 300
Dibromonitrilopropionamide
X-CIDE 508
X-CIDE 509
NSC 98283
Dowicil QK 20
2-Cyano-2,2-dibromoacetamide
BE 3S
2,2-Dibromo-3-nitrilopropanamide
Mucosin NT
Busan 94
Dow antimicrobial 7287
Odycide B 340
AM 7287
QK 20
Thor DB 20
DB 20
2,2-Dibromo-3-3-trifluoropropionamide
Dow bactericide 7287
Fennosan R 20
Aqucar DB 20
Bioban DB 20
Aqucar RO 20
Acticide DBW
Identifiers:
SMILES:
N#CC(Br)(Br)C(=N)O
InChI:
InChI=1S/C3H2Br2N2O/c4-3(5,1-6)2(7)8/h(H2,7,8)
Key Properties
Boiling Point
123-126 °C
CAS Common Chemistry
Melting Point
123-126 °C
CAS Common Chemistry
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 | 241.87 g/mol | CAS Common Chemistry |
| 239.853386884 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 36.55349999999999 | RDKit |
