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5'-Chloro-2'-hydroxyacetophenone

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Name

5'-Chloro-2'-hydroxyacetophenone

EINECS 215-916-8
CAS No. 1450-74-4 Density 1.298 g/cm3
PSA 37.30000 LogP 2.24820
Solubility N/A Melting Point 54-56 °C(lit.)
Formula C8H7ClO2 Boiling Point 270.9 °C at 760 mmHg
Molecular Weight 170.595 Flash Point 117.6 °C
Transport Information N/A Appearance slightly yellow crystalline powder or chunks
Safety 26-36-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1450-74-4 (1-(5-Chloro-2-hydroxyphenyl)ethanone) Hazard Symbols IrritantXi
Synonyms

2'-Hydroxy-5'-chloroacetophenone;3-Chloro-6-hydroxyacetophenone;NSC 46622;1-(5-Chloro-2-hydroxyphenyl)ethanone;2-Acetyl-4-chlorophenol;Acetophenone,5'-chloro-2'-hydroxy- (6CI,7CI,8CI);

Article Data 71

5'-Chloro-2'-hydroxyacetophenone Synthetic route

186956-36-5

1-(2-(allyloxy)-5-chlorophenyl)ethan-1-one

1450-74-4

5-chloro-2-hydroxyacetophenone

Conditions
ConditionsYield
With iodine at 20℃;94%
876-27-7

4-chlorophenyl acetate

1450-74-4

5-chloro-2-hydroxyacetophenone

Conditions
ConditionsYield
With hydrogen fluoride supported on silica gel In neat (no solvent) at 55℃; for 4h; Green chemistry;91%
With aluminum (III) chloride In neat (no solvent) at 140 - 150℃; Fries Phenol Ester Rearrangement;90%
With potassium carbonate In hexane at 25℃; for 12h; Irradiation;88%
75632-99-4

3-methyl-1,2-benzisoxazole 2-oxide

1450-74-4

5-chloro-2-hydroxyacetophenone

Conditions
ConditionsYield
With hydrogenchloride In ethanol; water for 12h; Heating;90%
108-24-7

acetic anhydride

106-48-9

4-chloro-phenol

1450-74-4

5-chloro-2-hydroxyacetophenone

Conditions
ConditionsYield
Stage #1: acetic anhydride; 4-chloro-phenol
Stage #2: With boron trifluoride diacetate In neat (no solvent) Fries Phenol Ester Rearrangement;
77%
87974-51-4, 29725-93-7

5'-chloro-2'-hydroxyacetophenoneoxime

1450-74-4

5-chloro-2-hydroxyacetophenone

Conditions
ConditionsYield
With sodium perborate In acetic acid for 3.5h; deoximation; Heating;75%
118-93-4

o-hydroxyacetophenone

1450-74-4

5-chloro-2-hydroxyacetophenone

Conditions
ConditionsYield
Stage #1: o-hydroxyacetophenone In acetonitrile at 80℃; for 0.166667h;
Stage #2: With N-chloro-succinimide In acetonitrile at 80℃; for 8h; regioselective reaction;
71%
With N-chloro-succinimide; toluene-4-sulfonic acid In acetonitrile at 20℃; for 4h; regioselective reaction;70%
Stage #1: o-hydroxyacetophenone With toluene-4-sulfonic acid In water; acetonitrile at 20℃; for 0.0833333h;
Stage #2: With N-chloro-succinimide In water; acetonitrile at 20℃; for 2h; regioselective reaction;
49%
106-48-9

4-chloro-phenol

75-36-5

acetyl chloride

1450-74-4

5-chloro-2-hydroxyacetophenone

Conditions
ConditionsYield
With aluminium trichloride at 180℃; for 0.5h;70%
With iron(III) chloride
Stage #1: 4-chloro-phenol; acetyl chloride In toluene at 40℃;
Stage #2: With aluminium trichloride In toluene at 80℃; Further stages.;

5'-Chloro-2'-hydroxyacetophenone Specification

The 5'-Chloro-2'-hydroxyacetophenone, with the CAS registry number 1450-74-4, is also known as NSC46622. It belongs to the product categories of Aromatic Acetophenones & Derivatives (substituted); Phenoles and thiophenoles; Adehydes, Acetals & Ketones; Chlorine Compounds; Phenols; C7 to C8; Carbonyl Compounds; Ketones. Its EINECS registry number is 215-916-8. This chemical's molecular formula is C8H7ClO2 and molecular weight is 170.59298. Its IUPAC name is called 1-(5-chloro-2-hydroxyphenyl)ethanone. The product should be sealed and stored in cool, dry and well-ventilated place. It is slightly yellow crystalline powder or chunks.

Physical properties of 5'-Chloro-2'-hydroxyacetophenone: (1)ACD/LogP: 3.16; (2)ACD/LogD (pH 5.5): 3.16; (3)ACD/LogD (pH 7.4): 3.16; (4)ACD/BCF (pH 5.5): 147.96; (5)ACD/BCF (pH 7.4): 147.26; (6)ACD/KOC (pH 5.5): 1244.51; (7)ACD/KOC (pH 7.4): 1238.61; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.569; (12)Molar Refractivity: 43.05 cm3; (13)Molar Volume: 131.3 cm3; (14)Surface Tension: 46.6 dyne/cm; (15)Density: 1.298 g/cm3; (16)Flash Point: 117.6 °C; (17)Enthalpy of Vaporization: 52.96 kJ/mol; (18)Boiling Point: 270.9 °C at 760 mmHg; (19)Vapour Pressure: 0.004 mmHg at 25°C.

Preparation: this chemical can be prepared by acetic acid 4-chloro-phenyl ester. This reaction will need reagent AlCl3 and solvent chlorobenzene. The reaction time is 2 min. The yield is about 85%.

Uses of 5'-Chloro-2'-hydroxyacetophenone: it can be used to produce phenyl-acetic acid 2-acetyl-4-chloro-phenyl ester at temperature of 15 °C. This reaction will need reagent POCl3, pyridine. The yield is about 45%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)C1=C(C=CC(=C1)Cl)O
(2)InChI: InChI=1S/C8H7ClO2/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4,11H,1H3
(3)InChIKey: XTGCUDZCCIRWHL-UHFFFAOYSA-N

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