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1-(3-Chloromethyl-4-hydroxy-phenyl)-ethanone

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Name

1-(3-Chloromethyl-4-hydroxy-phenyl)-ethanone

EINECS N/A
CAS No. 24085-05-0 Density 1.255 g/cm3
PSA 37.30000 LogP 2.33360
Solubility N/A Melting Point 160 °C (decomp)
Formula C9H9ClO2 Boiling Point 363.6 °C at 760 mmHg
Molecular Weight 184.622 Flash Point 173.7 °C
Transport Information N/A Appearance Red solid
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 24085-05-0 (1-(3-Chloromethyl-4-hydroxy-phenyl)-ethanone) Hazard Symbols N/A
Synonyms

Acetophenone,3'-(chloromethyl)-4'-hydroxy- (8CI);3-(Chloromethyl)-4-hydroxyacetophenone;3-Chloromethyl-4-hydroxyphenyl methyl ketone;3'-Chloromethyl-4'-hydroxyacetophenone;

Article Data 12

1-(3-Chloromethyl-4-hydroxy-phenyl)-ethanone Specification

The Ethanone,1-[3-(chloromethyl)-4-hydroxyphenyl]- is an organic compound with the formula C9H9ClO2. The IUPAC name of this chemical is 1-[3-(chloromethyl)-4-hydroxyphenyl]ethanone. With the CAS registry number 24085-05-0, it is also named as 3-Chloromethyl-4-hydroxyphenyl methyl ketone. It is crystal which is used as an intermediate of Salbutamol. Besides, this chemical can be produced by cholromethylation of hydroxyacetophenone with formaldehyde and concentrated hydrochloric acid.

The other characteristics of Ethanone,1-[3-(chloromethyl)-4-hydroxyphenyl]- can be summarized as: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.565; (8)Molar Refractivity: 47.92 cm3; (9)Molar Volume: 147 cm3; (10)Polarizability: 19×10-24cm3; (11)Surface Tension: 45.8 dyne/cm; (12)Density: 1.255 g/cm3; (13)Flash Point: 173.7 °C; (14)Melting Point: 155-164 °C; (15)Enthalpy of Vaporization: 63.37 kJ/mol; (16)Boiling Point: 363.6 °C at 760 mmHg; (17)Vapour Pressure: 8.52E-06 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: ClCc1cc(ccc1O)C(=O)C
(2)InChI: InChI=1/C9H9ClO2/c1-6(11)7-2-3-9(12)8(4-7)5-10/h2-4,12H,5H2,1H3
(3)InChIKey: LAMHAMBOLINJML-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C9H9ClO2/c1-6(11)7-2-3-9(12)8(4-7)5-10/h2-4,12H,5H2,1H3
(5)Std. InChIKey: LAMHAMBOLINJML-UHFFFAOYSA-N

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