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Cas Database |
| Name |
2'-Chloroacetophenone |
EINECS | 218-397-6 |
| CAS No. | 2142-68-9 | Density | 1.163 g/cm3 |
| PSA | 17.07000 | LogP | 2.54260 |
| Solubility | N/A | Melting Point |
52-56 °C |
| Formula | C8H7ClO | Boiling Point | 195.5 °C at 760 mmHg |
| Molecular Weight | 154.596 | Flash Point | 89.6 °C |
| Transport Information | UN 3416 6.1/PG 2 | Appearance | clear light yellow to amber liquid |
| Safety | 26-36-37/39-45-36/37/39-28A | Risk Codes | 22-36/37-36/37/38-26 |
| Molecular Structure |
|
Hazard Symbols |
 Xn, Xi, T+
|
| Synonyms |
Acetophenone,2'-chloro- (7CI,8CI);1-(2-Chlorophenyl)ethanone;2-Acetylphenyl chloride;2-Chlorophenyl methyl ketone;Methyl 2-chlorophenylketone;NSC 405474;o-Chloroacetophenone;o-Chlorophenyl methyl ketone;2'-Chloroacetophenone; |
Article Data | 181 |
2'-Chloroacetophenone Synthetic route
- 13524-04-4
2'-chloro-sec-phenethyl alcohol
- 2142-68-9
1-(2-chlorophenyl)ethanone
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide; benzenesulfonic acid; potassium bromide In dichloromethane; water at 20℃; for 24h; Reagent/catalyst; Solvent; | 99% |
| With C53H46ClN3P2Ru; potassium tert-butylate; acetone at 56℃; under 750.075 Torr; for 2h; Oppenauer Oxidation; | 97% |
| With cobalt(III) acetate; sodium bromide In acetic acid at 60℃; for 1h; | 96% |
- 75-36-5
acetyl chloride
- 108-90-7
chlorobenzene
A
- 2142-68-9
1-(2-chlorophenyl)ethanone
B
- 99-91-2
para-chloroacetophenone
| Conditions | Yield |
|---|---|
| With aluminium trichloride; 1-ethyl-3-methyl-1H-imidazol-3-ium chloride at 20℃; for 24h; | A 2% B 97% |
| With iron(III) sulfate In hexane at 20℃; for 0.75h; Friedel-Crafts acylation; Sonication; | A 8.3% B 73% |
| With iron(III) oxide In water at 20℃; for 2h; Friedel Crafts acylation; regioselective reaction; |
| Conditions | Yield |
|---|---|
| With antimony(III) chloride In dichloromethane at 50℃; for 3h; | 95.3% |
| Conditions | Yield |
|---|---|
| With C22H20AuN3O2P(1+)*CF3O3S(1-); water; silver trifluoromethanesulfonate; acetic acid at 100℃; for 10h; | 95% |
| With iron(III) chloride; water; silver(I) triflimide In 1,4-dioxane at 80℃; for 40h; regioselective reaction; | 94% |
| With water at 80℃; for 2h; Temperature; Green chemistry; | 87% |
| Conditions | Yield |
|---|---|
| With oxygen; palladium diacetate; trifluoroacetic acid In water; dimethyl sulfoxide at 70℃; under 760.051 Torr; for 10h; Wacker Oxidation; Sealed tube; regioselective reaction; | 95% |
| With perchloric acid; oxygen; palladium diacetate; p-benzoquinone; sodium nitrite In methanol; water at 20℃; for 5h; Wacker Oxidation; Schlenk technique; Sealed tube; Green chemistry; | 84% |
| With iron(II) chloride In ethanol at 80℃; for 4h; | 78% |
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide; tripropylammonium fluorochromate (VI) In acetone at 0 - 10℃; for 6h; | 94% |
| With NTPPPODS In water; acetonitrile for 0.3h; Reflux; | 94% |
| With ferrous(II) sulfate heptahydrate; benzyl seleninic acid In ethyl acetate at 60℃; for 24h; Green chemistry; | 90% |
- 20001-46-1
1-chloro-2-(1-methoxyethyl)benzene
- 2142-68-9
1-(2-chlorophenyl)ethanone
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide; bromine In dichloromethane; water at 20℃; for 24h; | 92% |
- 310905-00-1
2-(2-chloro-phenyl)-2-methyl-[1,3]dithiane
- 2142-68-9
1-(2-chlorophenyl)ethanone
| Conditions | Yield |
|---|---|
| With [bis(acetoxy)iodo]benzene In water; acetone at 20℃; for 0.05h; Ring cleavage; | 88% |
| Conditions | Yield |
|---|---|
| With oxygen In water for 4h; Reflux; | 88% |
| With oxygen; silica gel; 4-aminoperbenzoic acid In dichloromethane at 20℃; for 12h; | 76% |
- 108-24-7
acetic anhydride
- 108-90-7
chlorobenzene
A
- 2142-68-9
1-(2-chlorophenyl)ethanone
B
- 99-91-2
para-chloroacetophenone
| Conditions | Yield |
|---|---|
| With aluminum (III) chloride at 50 - 75℃; for 5.5h; Temperature; | A 6% B 88% |
2'-Chloroacetophenone Consensus Reports
2'-Chloroacetophenone Specification
1.Introduction of 2'-Chloroacetophenone
2'-Chloroacetophenone, with its CAS NO 2142-68-9, is a kind of Off-white to light yellow clear liquid. It has synonyms of Acetophenone,2'-chloro- (7CI,8CI);1-(2-Chlorophenyl)ethanone;2-Acetylphenyl chloride;2-Chlorophenyl methyl ketone;Methyl 2-chlorophenylketone;NSC 405474;o-Chloroacetophenone and o-Chlorophenyl methyl ketone. 2'-Chloroacetophenone should be sealed storage in shady and cool warehouse and keep away from oxide.And it is mainly used in the synthesis of Clorprenaline Hydrochloride which is bronchodilators.
2.Properties of 2'-Chloroacetophenone
(1) Molecular Weight 154.59358 [g/mol] (2) Molecular Formula C8H7ClO (3) XLogP3 2.1 (4) H-Bond Acceptor 1
(5) Rotatable Bond Count 1 (6) Tautomer Count 2 (7) Exact Mass 154.018543 (8) MonoIsotopic Mass 154.018543
(9) Topological Polar Surface Area 17.1 (10) Heavy Atom Count 10 (11) Complexity 133
3.Stucture descriptors of 2'-Chloroacetophenone
IUPAC Name: 1-(2-chlorophenyl)ethanone
InChI: InChI=1S/C8H7ClO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3
InChIKey: ZDOYHCIRUPHUHN-UHFFFAOYSA-N
CanonicalSMILES : CC(=O)C1=CC=CC=C1Cl
4.Toxity data of 2'-Chloroacetophenone
orl-rat LD50:1820 mg/kg orl-mus LD50:880 mg/kg
1. CroHP# Personal Communication from H.P. Crocker, Ultimate Holding Co.-Reckitt and Colman Ltd., London, England, to R.L. Tatken, NIOSH, Cincinnati, OH, September 2, 1980 02SEPT80 . 2. CroHP# Personal Communication from H.P. Crocker, Ultimate Holding Co.-Reckitt and Colman Ltd., London, England, to R.L. Tatken, NIOSH, Cincinnati, OH, September 2, 1980 02SEPT80 .
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