2-Bromo-4'-chloroacetophenone - CAS 536-38-9
Catalog: |
BB028298 |
Product Name: |
2-Bromo-4'-chloroacetophenone |
CAS: |
536-38-9 |
Synonyms: |
2-bromo-1-(4-chlorophenyl)ethanone |
IUPAC Name: | 2-bromo-1-(4-chlorophenyl)ethanone |
Description: | 2-Bromo-4'-chloroacetophenone (CAS# 536-38-9) is a compound useful in organic synthesis. |
Molecular Weight: | 233.49 |
Molecular Formula: | C8H6BrClO |
Canonical SMILES: | C1=CC(=CC=C1C(=O)CBr)Cl |
InChI: | InChI=1S/C8H6BrClO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2 |
InChI Key: | FLAYZKKEOIAALB-UHFFFAOYSA-N |
Boiling Point: | 289.7 ℃ at 760 mmHg |
Melting Point: | 95-99 ℃ |
Purity: | 98 % |
Density: | 1.598 g/cm3 |
Appearance: | Crystalline powder |
Storage: | Keep Cold |
MDL: | MFCD00000625 |
LogP: | 2.91760 |
GHS Hazard Statement: | H302 (14.06%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113004219-A | Thiazole ring-containing amide compound and preparation method and application thereof | 20210311 |
CN-112939903-A | Method for preparing furan compound from aryl ketone bromide | 20210308 |
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PMID | Publication Date | Title | Journal |
23807823 | 20130801 | Antimicrobial and antiurease activities of newly synthesized morpholine derivatives containing an azole nucleus | Medicinal chemistry research : an international journal for rapid communications on design and mechanisms of action of biologically active agents |
22589926 | 20120401 | 1-(4-Chloro-phen-yl)-2-[4-hy-droxy-3-(3-meth-oxy-benzo-yl)-1,1-dioxo-2H-1λ(6),2-benzothia-zin-2-yl]ethanone | Acta crystallographica. Section E, Structure reports online |
22259446 | 20120101 | (2-Anilino-4-methyl-thia-zol-5-yl)(4-chloro-phen-yl)methanone | Acta crystallographica. Section E, Structure reports online |
22199845 | 20111201 | 2-(4-Chloro-phen-yl)-2-oxoethyl 3,4-dimeth-oxy-benzoate | Acta crystallographica. Section E, Structure reports online |
22199865 | 20111201 | 2-(4-Chloro-anilino)-1-(4-chloro-phen-yl)ethanone | Acta crystallographica. Section E, Structure reports online |
Complexity: | 141 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.92906 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.92906 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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