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| Synonyms | UNII-NU328PDK9P | 2-Bromoacetamido-4-nitrophenol | DTXSID5063239 | 2-Bromo-N-(2-hydroxy-5-nitrophenyl)acetamide | STWBNOBMOCQPLR-UHFFFAOYSA-N | EINECS 223-539-5 | 2-Bromo-N-(2-hydroxy-5-nitrophenyl)acetamide # | AKOS015970431 | Acetamide, 2-bromo-N-(2-hyd |
|---|---|
| Specifications & Purity | ≥97% |
| Storage Temp | Store at -20°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenols |
| Subclass | Nitrophenols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrophenols |
| Alternative Parents | Nitrobenzenes Anilides Nitroaromatic compounds N-arylamides 1-hydroxy-2-unsubstituted benzenoids Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organobromides Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides Organic cations |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrophenol - Nitrobenzene - Anilide - Nitroaromatic compound - N-arylamide - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organic nitrogen compound - Organic salt - Organonitrogen compound - Organobromide - Organooxygen compound - Organohalogen compound - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl bromide - Carbonyl group - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrophenols. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms. |
| External Descriptors | Not available |
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| Pubchem Sid | 504762835 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504762835 |
| IUPAC Name | 2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide |
| INCHI | InChI=1S/C8H7BrN2O4/c9-4-8(13)10-6-3-5(11(14)15)1-2-7(6)12/h1-3,12H,4H2,(H,10,13) |
| InChIKey | STWBNOBMOCQPLR-UHFFFAOYSA-N |
| Smiles | C1=CC(=C(C=C1[N+](=O)[O-])NC(=O)CBr)O |
| Isomeric SMILES | C1=CC(=C(C=C1[N+](=O)[O-])NC(=O)CBr)O |
| WGK Germany | 3 |
| Molecular Weight | 275.06 |
| Reaxy-Rn | 2740377 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2740377&ln= |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Aug 24, 2022 | B337287 | |
| Certificate of Analysis | Aug 24, 2022 | B337287 | |
| Certificate of Analysis | Aug 24, 2022 | B337287 |
| Solubility | Soluble in ethanol (5 mg/ml). Insoluble in water. |
|---|---|
| Refractive Index | n20D1.70 (Predicted) |
| Boil Point(°C) | ~472.3° C at 760 mmHg (Predicted) |
| Melt Point(°C) | 215-220° C (lit.)(dec.) |
| Molecular Weight | 275.060 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 273.959 Da |
| Monoisotopic Mass | 273.959 Da |
| Topological Polar Surface Area | 95.200 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 256.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |