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CAS No.: | 68301-59-7 |
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Name: | 2'-Chloro-4'-hydroxyacetophenone |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C8H7ClO2 |
Molecular Weight: | 170.595 |
Synonyms: | 1-(2-Chloro-4-hydroxyphenyl)ethanone;2'-Chloro-4'-hydroxyacetophenone; |
Density: | 1.298g/cm3 |
Melting Point: | 110 °C |
Boiling Point: | 288 °C at 760 mmHg |
Flash Point: | 128 °C |
Hazard Symbols: | Xi |
PSA: | 37.30000 |
LogP: | 2.24820 |
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The 2'-Chloro-4'-hydroxyacetophenone, with cas registry number 68301-59-7, has the systematic name of Ethanone, 1-(2-chloro-4-hydroxyphenyl)-. And its IUPAC name is 1-(2-chloro-4-hydroxyphenyl)ethanone.
Physical properties about this chemical are: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.16; (4)ACD/LogD (pH 7.4): 1.76; (5)#H bond acceptors: 2; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 37.3 Å2; (9)Index of Refraction: 1.569; (10)Molar Refractivity: 43.05 cm3; (11)Molar Volume: 131.3 cm3; (12)Polarizability: 17.06×10-24cm3; (13)Surface Tension: 46.6 dyne/cm; (14)Enthalpy of Vaporization: 54.83 kJ/mol; (15)Vapour Pressure: 0.00139 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)c1ccc(O)cc1Cl
(2)InChI: InChI=1/C8H7ClO2/c1-5(10)7-3-2-6(11)4-8(7)9/h2-4,11H,1H3
(3)InChIKey: LEQXWOPVKMSPDV-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C8H7ClO2/c1-5(10)7-3-2-6(11)4-8(7)9/h2-4,11H,1H3
(5)Std. InChIKey: LEQXWOPVKMSPDV-UHFFFAOYSA-N