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CAS No.: | 6921-66-0 |
---|---|
Name: | 4'-CHLORO-2'-HYDROXYACETOPHENONE |
Article Data: | 26 |
Molecular Structure: | |
Formula: | C8H7ClO2 |
Molecular Weight: | 170.595 |
Synonyms: | Acetophenone,4'-chloro-2'-hydroxy- (6CI,7CI,8CI);1-(4-Chloro-2-hydroxyphenyl)ethanone;2'-Hydroxy-4'-chloroacetophenone;4'-Chloro-2'-hydroxyacetophenone; |
EINECS: | 614-935-2 |
Density: | 1.298 g/cm3 |
Melting Point: | 27-30 ºC |
Boiling Point: | 268.4 °C at 760 mmHg |
Flash Point: | 116.1 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-37/38-41 |
Safety: | 26-39 |
PSA: | 37.30000 |
LogP: | 2.24820 |
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The Ethanone,1-(4-chloro-2-hydroxyphenyl)-, with the CAS registry number 6921-66-0, is also known as 4'-Chloro-2'-hydroxyacetophenone. It belongs to the product categories of Aromatic Acetophenones & Derivatives (substituted); Adehydes, Acetals & Ketones; Chlorine Compounds. This chemical's molecular formula is C8H7ClO2 and formula weight is 170.59. What's more, its IUPAC name is 1-(4-chloro-2-hydroxyphenyl)ethanone.
Physical properties of Ethanone,1-(4-chloro-2-hydroxyphenyl)- are: (1)ACD/LogP: 2.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.97; (4)ACD/LogD (pH 7.4): 2.96; (5)ACD/BCF (pH 5.5): 106.7; (6)ACD/BCF (pH 7.4): 105.05; (7)ACD/KOC (pH 5.5): 984.77; (8)ACD/KOC (pH 7.4): 969.59; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 43.05 cm3; (15)Molar Volume: 131.3 cm3; (16)Surface Tension: 46.6 dyne/cm; (17)Density: 1.298 g/cm3; (18)Flash Point: 116.1 °C; (19)Enthalpy of Vaporization: 52.68 kJ/mol; (20)Boiling Point: 268.4 °C at 760 mmHg; (21)Vapour Pressure: 0.00468 mmHg at 25°C.
Uses of Ethanone,1-(4-chloro-2-hydroxyphenyl)-: it can be used to produce 2-(2-hydroxy-4-chlorophenyl)-1,8-naphthyridine by heating. It will need reagent conc. sulphuric acid and solvent acetic acid with the reaction time of 3 hours. The yield is about 82%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1c(O)cc(Cl)cc1)C
(2)InChI: InChI=1S/C8H7ClO2/c1-5(10)7-3-2-6(9)4-8(7)11/h2-4,11H,1H3
(3)InChIKey: QCVSDCHNBNFJDQ-UHFFFAOYSA-N