4-Bromobenzophenone - CAS 90-90-4
Catalog: |
BB039982 |
Product Name: |
4-Bromobenzophenone |
CAS: |
90-90-4 |
Synonyms: |
(4-bromophenyl)-phenylmethanone |
IUPAC Name: | (4-bromophenyl)-phenylmethanone |
Description: | 4-Bromobenzophenone (CAS# 90-90-4) is a useful research chemical. |
Molecular Weight: | 261.11 |
Molecular Formula: | C13H9BrO |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Br |
InChI: | InChI=1S/C13H9BrO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H |
InChI Key: | KEOLYBMGRQYQTN-UHFFFAOYSA-N |
Boiling Point: | 350 °C |
Density: | 1.421 g/cm3 |
Appearance: | White to tan powder or crystals |
MDL: | MFCD00000103 |
LogP: | 3.68010 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21201484 | 20080116 | (E)-1-(4-Bromo-phen-yl)-2-(4-tert-butyl-phen-yl)-1-phenyl-ethene | Acta crystallographica. Section E, Structure reports online |
17374940 | 20070401 | Polymorphism of 4-bromobenzophenone | Acta crystallographica. Section B, Structural science |
16408973 | 20060120 | Synthesis of photoactivatable analogues of lysophosphatidic acid and covalent labeling of plasma proteins | The Journal of organic chemistry |
15018557 | 20040315 | In situ electrochemical-NMR spectroscopy. Reduction of aromatic halides | Analytical chemistry |
Complexity: | 213 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.98368 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.98368 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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