2-Bromo-4'-nitroacetophenone - CAS 99-81-0
Catalog: |
BB042342 |
Product Name: |
2-Bromo-4'-nitroacetophenone |
CAS: |
99-81-0 |
Synonyms: |
2-bromo-1-(4-nitrophenyl)ethanone |
IUPAC Name: | 2-bromo-1-(4-nitrophenyl)ethanone |
Description: | 2-Bromo-4'-nitroacetophenone (CAS# 99-81-0) is a useful research chemical. |
Molecular Weight: | 244.04 |
Molecular Formula: | C8H6BrNO3 |
Canonical SMILES: | C1=CC(=CC=C1C(=O)CBr)[N+](=O)[O-] |
InChI: | InChI=1S/C8H6BrNO3/c9-5-8(11)6-1-3-7(4-2-6)10(12)13/h1-4H,5H2 |
InChI Key: | MBUPVGIGAMCMBT-UHFFFAOYSA-N |
Boiling Point: | 325.2 ℃ at 760 mmHg |
Melting Point: | 94-100 ℃ |
Purity: | 98 % |
Density: | 1.671 g/cm3 |
Appearance: | Yellow to orange crystalline powder |
Storage: | Keep away from sources of ignition. Store in a cool, dry place. Keep container closed when not in use. Corrosives area. |
MDL: | MFCD00007356 |
LogP: | 2.69560 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111909102-A | Synthetic method of dinitro-substituted quinoxaline, heat-resistant polyimide and preparation method thereof | 20200604 |
CN-111533696-A | Benzimidazole derivative, benzothiophene derivative, and preparation method and application thereof | 20200526 |
CN-111423314-A | Method for synthesizing diethoxymethane by continuous heterogeneous tubular reaction | 20200519 |
CN-111362972-A | Benzimidazole [2,1-b ] thiazole compound and application thereof | 20200428 |
CN-111362972-B | Benzimidazole [2,1-b ] thiazole compound and application thereof | 20200428 |
PMID | Publication Date | Title | Journal |
22904921 | 20120801 | 2-[(2Z)-Azepan-2-yl-idene]-1-(4-nitro-phen-yl)ethanone | Acta crystallographica. Section E, Structure reports online |
21500862 | 20110623 | Switching reversibility to irreversibility in glycogen synthase kinase 3 inhibitors: clues for specific design of new compounds | Journal of medicinal chemistry |
19941024 | 20101001 | Biotransformation of α-bromoacetophenones by the marine fungus Aspergillus sydowii | Marine biotechnology (New York, N.Y.) |
17851431 | 20070418 | Synthesis of alpha,beta-unsaturated ketones as chalcone analogues via a S(RN)1 mechanism | Molecules (Basel, Switzerland) |
14561081 | 20031023 | Thienyl and phenyl alpha-halomethyl ketones: new inhibitors of glycogen synthase kinase (GSK-3beta) from a library of compound searching | Journal of medicinal chemistry |
Complexity: | 206 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.95311 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.95311 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 62.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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