2-Chlorobenzophenone - CAS 5162-03-8
Catalog: |
BB027518 |
Product Name: |
2-Chlorobenzophenone |
CAS: |
5162-03-8 |
Synonyms: |
(2-chlorophenyl)-phenylmethanone; (2-chlorophenyl)-phenylmethanone |
IUPAC Name: | (2-chlorophenyl)-phenylmethanone |
Description: | 2-Chlorobenzophenone is a metabolite of Clofedanol. Chlorobenzophenone is also used as a catalyst in the photocrosslinking of polyethylenes. |
Molecular Weight: | 216.66 |
Molecular Formula: | C13H9ClO |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)C2=CC=CC=C2Cl |
InChI: | InChI=1S/C13H9ClO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9H |
InChI Key: | VMHYWKBKHMYRNF-UHFFFAOYSA-N |
Boiling Point: | 330 °C |
Melting Point: | 44-47 °C |
Purity: | > 95 % |
Density: | 1.207 g/cm3 |
Appearance: | White to yellow crystalline powder |
LogP: | 3.57100 |
GHS Hazard Statement: | H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21640335 | 20110927 | Inclusion complex of 2-chlorobenzophenone with cyclomaltoheptaose (β-cyclodextrin): temperature, solvent effects and molecular modeling | Carbohydrate research |
21577543 | 20090812 | N'-Benzoyl-N-tert-butyl-2-chloro-N'-{[3-(6-chloro-3-pyrid-ylmethyl)-2-nitrimino-imidazolidin-1-yl]sulfan-yl}benzo-hydrazide | Acta crystallographica. Section E, Structure reports online |
21583597 | 20090718 | 2-Amino-5-nitro-phenyl 2-chloro-phenyl ketone | Acta crystallographica. Section E, Structure reports online |
17960931 | 20071115 | Experimental and computational studies on the molecular energetics of chlorobenzophenones | The journal of physical chemistry. B |
Complexity: | 221 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.0341926 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.0341926 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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