3-Bromo-2-nitrobenzaldehyde - CAS 882772-99-8
Catalog: |
BB055286 |
Product Name: |
3-Bromo-2-nitrobenzaldehyde |
CAS: |
882772-99-8 |
Synonyms: |
3-BROMO-2-NITROBENZALDEHYDE; 3-Bromo-2-nitro-benzaldehyde; 2-nitrobromobenzaldehyde; bromo-2-nitrobenzaldehyde; 2-Nitro-3-bromobenzaldehyde |
IUPAC Name: | 3-bromo-2-nitrobenzaldehyde |
Description: | 3-Bromo-2-nitrobenzaldehyde is an intermediate in the synthesis of peptidomimetic BACE1 inhibitor. |
Molecular Weight: | 230.02 |
Molecular Formula: | C7H4BrNO3 |
Canonical SMILES: | C1=CC(=C(C(=C1)Br)[N+](=O)[O-])C=O |
InChI: | InChI=1S/C7H4BrNO3/c8-6-3-1-2-5(4-10)7(6)9(11)12/h1-4H |
InChI Key: | DAZQBQQNIUAQAV-UHFFFAOYSA-N |
Melting Point: | 84 - 87°C |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Pale Yellow Solid |
Storage: | 4°C, Hygroscopic |
References: | Butini, S., et al. Euro. J. Med. Chem., 70, 233 (2013); Bursavich, M. G., et al. Bioorg. Med. Chem. Lett., 23, 6829 (2013). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111378142-A | Force-induced response supramolecular polymer | 20190101 |
CN-111378145-A | Force-induced response multiphase supramolecular block polymer | 20190101 |
CN-111378179-A | Force-induced response supramolecular polymer | 20190101 |
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CN-108484623-A | Camptothecin derivative and the preparation method and application thereof | 20180517 |
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Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.93746 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.93746 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 62.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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