3-Chlorobenzophenone
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3-Chlorobenzophenone
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CAS No:
1016-78-0
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Formula:
C13H9ClO
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Chemical Name:
3-Chlorobenzophenone
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Synonyms:
Methanone,(3-chlorophenyl)phenyl-;Benzophenone,3-chloro-;(3-Chlorophenyl)phenylmethanone;3-Chlorobenzophenone;m-Chlorobenzophenone;NSC 5456;3-Chlorophenyl phenyl ketone;(3-Chlorophenyl)(phenyl)methanone
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CAS No:
Characteristics
17.1
4.2
white crystal solid
1.1459 (rough estimate)
228-230 °C
83.0-83.5 °C
178.3±14.3 °C
1.5260 (estimate)
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
9.39E-05mmHg at 25°C
Safety Information
3
R20/21/22;R36/37/38
26-37/39-36/37/39-22-36
Xi,Xn
Stable under normal temperatures and pressures.
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Chlorobenzophenone Use and Manufacturing
General procedure: HCO2K (67 mg, 0.40 mmol) was added to a mixture of the polymeric precatalyst 1 (40 mg, 0.010 mmol) and p-chloroacetophenone (2a) (31 mg, 0.20 mmol) in seawater (1.5 mL). The reaction mixture was shaken at 25 C for 3 h and filtered. The recovered resin beads were rinsed with H2O and extracted five times with EtOAc (5 mL). The EtOAc layer was separated, and the aqueous layer was extracted with EtOAc (3 mL). The combined EtOAc extracts were washed with brine (2 mL) and dried over MgSO4; then, n-dodecane (20 mg) was added. The GC sample was transferred to a GC vial from the organic layer. The yield of acetophenone (3a) determined by GC analysis was 94%, with n-dodecane as an internal standard.
Computed Properties
Molecular Weight:216.66
XLogP3:4.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:216.0341926
Monoisotopic Mass:216.0341926
Topological Polar Surface Area:17.1
Heavy Atom Count:15
Complexity:221
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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