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2892-16-2

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Basic Information
CAS No.: 2892-16-2
Name: 5'-CHLORO-2'-HYDROXYPROPIOPHENONE
Article Data: 9
Molecular Structure:
Molecular Structure of 2892-16-2 (5'-CHLORO-2'-HYDROXYPROPIOPHENONE)
Formula: C9H9ClO2
Molecular Weight: 184.622
Synonyms: Propiophenone,5'-chloro-2'-hydroxy- (7CI,8CI);1-(5-Chloro-2-hydroxyphenyl)propan-1-one;2'-Hydroxy-5'-chloropropiophenone;5'-Chloro-2'-hydroxypropiophenone;NSC157733;
Density: 1.248 g/cm3
Melting Point: 55-57 °C
Boiling Point: 285.4 °C at 760 mmHg
Flash Point: 126.4 °C
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 37.30000
LogP: 2.63830
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Specification

The 1-Propanone,1-(5-chloro-2-hydroxyphenyl)-, with the CAS registry number 2892-16-2, has the systematic name of 1-(5-chloro-2-hydroxyphenyl)propan-1-one. It is also called 5'-chloro-2'-hydroxypropiophenone. And the molecular formula of this chemical is C9H9ClO2. In addition, it belongs to the product category of Aromatic Propiophenones (substituted).

The physical properties of 1-Propanone,1-(5-chloro-2-hydroxyphenyl)- are as following: (1)ACD/LogP: 3.69; (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: 1.558; (8)Molar Refractivity: 47.69 cm3; (9)Molar Volume: 147.8 cm3; (10)Polarizability: 18.9×10-24cm3; (11)Surface Tension: 45 dyne/cm; (12)Density: 1.248 g/cm3; (13)Flash Point: 126.4 °C; (14)Enthalpy of Vaporization: 54.55 kJ/mol; (15)Boiling Point: 285.4 °C at 760 mmHg; (16)Vapour Pressure: 0.00163 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(C(=O)CC)c(O)cc1
(2)Std. InChI: InChI=1S/C9H9ClO2/c1-2-8(11)7-5-6(10)3-4-9(7)12/h3-5,12H,2H2,1H3
(3)Std. InChIKey: IVNYWGRYCXKHDW-UHFFFAOYSA-N