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| CAS No.: | 5162-03-8 |
|---|---|
| Name: | (2-Chlorophenyl)phenyl-methanone |
| Molecular Structure: | |
|
|
|
| Formula: | C13H9ClO |
| Molecular Weight: | 216.667 |
| Synonyms: | Benzophenone,2-chloro- (6CI,7CI,8CI);(2-Chlorophenyl)(phenyl)methanone;2-Benzoylphenylchloride;Methanone,(2-chlorophenyl)phenyl-;2-Chlorophenyl phenyl ketone;NSC 62529;o-Chlorobenzophenone; |
| EINECS: | 225-936-9 |
| Density: | 1.207 g/cm3 |
| Melting Point: | 44-47 °C(lit.) |
| Boiling Point: | 330.6 °C at 760 mmHg |
| Flash Point: | 175.2 °C |
| Solubility: | Insoluble AUTOIGNITION |
| Appearance: | white to yellow crystalline powder |
| Hazard Symbols: |
 Xn,  Xi
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 37/39-26-24/25-36 |
| Transport Information: | 25kgs |
| PSA: | 17.07000 |
| LogP: | 3.57100 |
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| Conditions | Yield |
|---|---|
| With aluminium trichloride for 19.5h; Heating; | 100% |
| Friedel-Crafts reaction; | 90% |
| iron(III) chloride at 109℃; for 0.458333h; Product distribution / selectivity; Irradiation; | 83% |
- 71225-69-9
(2-chlorophenyl)phenylmethanone oxime
- 5162-03-8
(2-chlorophenyl)(phenyl)methanone
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid at 20℃; for 0.0166667h; neat (no solvent); | 98% |
| With periodic acid at 20℃; for 0.3h; | 86% |
| Conditions | Yield |
|---|---|
| With C4F9SO3H at 130℃; for 0.333333h; Product distribution; var. of time, conc. of reagent; | 96% |
| With aluminum (III) chloride for 6h; Friedel-Crafts Acylation; Reflux; |
- 143-66-8
sodium tetraphenyl borate
- 609-65-4
o-chlorobenzoyl chloride
- 5162-03-8
(2-chlorophenyl)(phenyl)methanone
| Conditions | Yield |
|---|---|
| With potassium fluoride; bis-triphenylphosphine-palladium(II) chloride In acetone for 0.15h; microwave irradiation (525 W); | 94% |
| With aluminum oxide; bis-triphenylphosphine-palladium(II) chloride; potassium fluoride In acetone for 0.0833333h; MW-irradiation; | 90% |
| With silica-supported diphenylphosphine palladium(0) In tetrahydrofuran at 40℃; for 48h; | 74% |
- 6954-45-6, 16071-25-3, 16071-26-4, 134236-27-4
(2-chlorophenyl)(phenyl)methanol
- 5162-03-8
(2-chlorophenyl)(phenyl)methanone
| Conditions | Yield |
|---|---|
| With cobalt(III) acetate; sodium bromide In acetic acid at 60℃; for 1h; | 93% |
| With peracetic acid; 4-acetylamino-2,2,6,6-tetramethyl-1-piperidinoxy In acetonitrile at 20℃; for 9h; | 93% |
| With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione at 80℃; for 0.5h; Reagent/catalyst; | 92% |
- 29921-41-3
(o-benzyl)chlorobenzene
- 5162-03-8
(2-chlorophenyl)(phenyl)methanone
| Conditions | Yield |
|---|---|
| With pyridine; tert.-butylhydroperoxide; iodine In water at 80℃; chemoselective reaction; | 93% |
| With N-Bromosuccinimide; water In chloroform for 3h; Reflux; | 92% |
| With lithium perchlorate In water; acetonitrile at 20℃; for 5h; Electrolysis; | 67% |
- 3900-89-8
2-Chlorobenzeneboronic acid
- 98-88-4
benzoyl chloride
- 5162-03-8
(2-chlorophenyl)(phenyl)methanone
| Conditions | Yield |
|---|---|
| With 2C60H80NaO12(2+)*Cl6Pd2(2-); potassium carbonate; triphenylphosphine In toluene at 70℃; for 12h; Suzuki Coupling; | 93% |
| With [Pd(η(5)-C5H5)Fe(η(5)-C5H3-C(CH3)=N-C6H4-4-CH3)Cl(P(C6H5)3)]; potassium carbonate In toluene at 60℃; for 12h; Inert atmosphere; | 90% |
- 24892-81-7
1-(o-chlorophenyl)-1-phenylethylene
- 5162-03-8
(2-chlorophenyl)(phenyl)methanone
| Conditions | Yield |
|---|---|
| With oxygen at 110℃; for 8h; Schlenk technique; Green chemistry; | 91% |
| With oxygen at 110℃; for 8h; Sealed tube; | 90.9% |
| With cerium(III) chloride; 1,1,1-trichloroethanol In acetonitrile at 25℃; for 40h; Irradiation; | 78% |
| Conditions | Yield |
|---|---|
| With sodium periodate; tetraethylammonium iodide In water; acetonitrile at 105℃; for 12h; Sealed tube; | 89% |
| Conditions | Yield |
|---|---|
| With dichloro bis(acetonitrile) palladium(II); cesium fluoride In 1-methyl-pyrrolidin-2-one at 80℃; under 760.051 Torr; for 6h; Hiyama Coupling; | 88% |
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Chemistry
Structure of 2-Chlorobenzophenone (CAS NO.5162-03-8):
IUPAC Name: (2-Chlorophenyl)-phenylmethanone
Molecular Formula: C13H9ClO
Molar mass: 216.663 g/mol
Density: 1.207 g/cm3
Flash Point: 175.2 °C
Index of Refraction: 1.594
Melting Point: 44-47 °C(lit.)
Boiling Point: 330.6 °C at 760 mmHg
Vapour Pressure: 0.000164 mmHg at 25 °C
XLogP3: 4
H-Bond Acceptor: 1
Rotatable Bond Count: 2
Exact Mass: 216.034193
MonoIsotopic Mass: 216.034193
Topological Polar Surface Area: 17.1
Heavy Atom Count: 15
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
InChIKey: VMHYWKBKHMYRNF-UHFFFAOYSA-N
EINECS: 225-936-9
Product Categories: Aromatic Benzophenones & Derivatives (substituted); Functional Materials; Photopolymerization Initiators; C13 to C14; Carbonyl Compounds; Ketones
Uses
2-Chlorobenzophenone (CAS NO.5162-03-8) can be used as pharmaceutical intermediates.
Toxicity Data With Reference
| mouse | LD | oral | > 500mg/kg (500mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS | National Technical Information Service. Vol. OTS0544006, |
Safety Profile
Hazard Codes: 
Xi, 
Xn
Risk Statements: 36/37/38-20/21/22
R36/37/38:Irritating to eyes, respiratory system and skin.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 37/39-26-24/25-36
S37/39:Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S24/25:Avoid contact with skin and eyes.
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS: PC4945633
Hazard Note: Irritant
Specification
2-Chlorobenzophenone (CAS NO.5162-03-8) is also named as (2-Chlorophenyl)phenylmethanone ; 2-Chlorobenyl phenyl ketone ; AI3-22112 ; NSC 62529 ; o-Chlorobenzophenone ; Benzophenone, 2-chloro- (6CI,7CI,8CI) ; Methanone, (2-chlorophenyl)phenyl- . 2-Chlorobenzophenone (CAS NO.5162-03-8) is white to yellow crystalline powder.