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

Name
1-(3-Chloromethyl-4-hydroxy-phenyl)-ethanone
EINECS
CAS No. 24085-05-0
Article Data12
CAS DataBase
Density 1.255 g/cm³
Solubility
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
Appearance Red solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetophenone,3'-(chloromethyl)-4'-hydroxy- (8CI);3-(Chloromethyl)-4-hydroxyacetophenone;3-Chloromethyl-4-hydroxyphenyl methyl ketone;3'-Chloromethyl-4'-hydroxyacetophenone;
PSA 37.30000
LogP 2.33360

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

Product Name

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

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

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