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99846-93-2

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Basic Information
CAS No.: 99846-93-2
Name: 2',5'-DICHLOROPROPIOPHENONE
Article Data: 2
Molecular Structure:
Molecular Structure of 99846-93-2 (2',5'-DICHLOROPROPIOPHENONE)
Formula: C9H8Cl2O
Molecular Weight: 203.07
Synonyms: 2,5-DICHLOROPROPIOPHENONE;1-(2,5-dichlorophenyl)propan-1-one;1-(2,5-Dichlorophenyl)-1-propanone
Density: 1.258g/cm3
Boiling Point: 260 °C at 760 mmHg
Flash Point: 107.2 °C
Risk Codes: 41
Safety: 26-39
PSA: 17.07000
LogP: 3.58610
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Specification

The 2,5-Dichloropropiophenone, with CAS registry number 99846-93-2, has the systematic name of 1-(2,5-dichlorophenyl)propan-1-one. Its molecular weight is 203.07. And the chemical formula of this chemical is C9H8Cl2O.

Physical properties of 2,5-Dichloropropiophenone: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.39; (4)ACD/LogD (pH 7.4): 3.39; (5)ACD/BCF (pH 5.5): 223.55; (6)ACD/BCF (pH 7.4): 223.55; (7)ACD/KOC (pH 5.5): 1672.21; (8)ACD/KOC (pH 7.4): 1672.21; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 50.7 cm3; (15)Molar Volume: 161.3 cm3; (16)Polarizability: 20.1×10-24cm3; (17)Surface Tension: 39.2 dyne/cm; (18)Density: 1.258 g/cm3; (19)Flash Point: 107.2 °C; (20)Enthalpy of Vaporization: 49.77 kJ/mol; (21)Boiling Point: 260 °C at 760 mmHg; (22)Vapour Pressure: 0.0126 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CC)c1cc(Cl)ccc1Cl
(2)InChI: InChI=1/C9H8Cl2O/c1-2-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2H2,1H3
(3)InChIKey: KRBDEZHXQICPAA-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C9H8Cl2O/c1-2-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2H2,1H3
(5)Std. InChIKey: KRBDEZHXQICPAA-UHFFFAOYSA-N