CAS No.102692-35-3,4,4'-DICHLOROCHALCONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	102692-35-3
Name:	4,4'-DICHLOROCHALCONE
Article Data:	28

Formula:	C₁₅H₁₀F₂O
Molecular Weight:	244.241
Synonyms:	2-Propen-1-one,1,3-bis(4-fluorophenyl)-, (E)-;(E)-1,3-Bis(4-fluorophenyl)-2-propen-1-one;
Density:	1.232 g/cm³
Melting Point:	117-119 °C(lit.)
Boiling Point:	356.6 °C at 760 mmHg
Flash Point:	136.5 °C
Hazard Symbols:	Xi
PSA:	17.07000
LogP:	3.86090

Total:15 Page 1 of 1 1

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Specification

The 2-Propen-1-one,1,3-bis(4-fluorophenyl)-, (2E)-, with the CAS registry number 102692-35-3, is also known as trans-4,4'-Difluorochalcone. It belongs to the product categories of NLO Chromophores and Intermediates; Non-Linear Optical (NLO) Materials; Photonic and Optical Materials. This chemical's molecular formula is C₁₅H₁₀F₂O and molecular weight is 244.24. What's more, its systematic name is (2E)-1,3-bis(4-Fluorophenyl)prop-2-en-1-one. It must be protected from moisture and strong oxidizers. In addition, the product should be sealed and stored in containers with dry inert gas which are placed in cool, ventilated and dry places. The workplace should be equipped with corresponding venting device.

Physical properties of 2-Propen-1-one,1,3-bis(4-fluorophenyl)-, (2E)- are: (1)ACD/LogP: 4.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.24; (4)ACD/LogD (pH 7.4): 4.24; (5)ACD/BCF (pH 5.5): 987.7; (6)ACD/BCF (pH 7.4): 987.7; (7)ACD/KOC (pH 5.5): 4843.44; (8)ACD/KOC (pH 7.4): 4843.44; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 67.09 cm³; (15)Molar Volume: 198.2 cm³; (16)Polarizability: 26.59×10^-24 cm³; (17)Surface Tension: 42.1 dyne/cm; (18)Density: 1.232 g/cm³; (19)Flash Point: 136.5 °C; (20)Enthalpy of Vaporization: 60.19 kJ/mol; (21)Boiling Point: 356.6 °C at 760 mmHg; (22)Vapour Pressure: 2.88E-05 mmHg at 25 °C.

Uses of 2-Propen-1-one,1,3-bis(4-fluorophenyl)-, (2E)-: it can be used to produce 3,5-bis-(4-fluoro-phenyl)-1-p-tolyl-4,5-dihydro-1H-pyrazole. It will need reagent p-tolyl-hydrazine, hydrochloride and solvent ethanol with the reaction time of 4 hours. In addition, the reaction requires heating. The yield is about 83.3%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(F)cc1)\C=C\c2ccc(F)cc2
(2)InChI: InChI=1/C15H10F2O/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10H/b10-3+
(3)InChIKey: AZBVDMNDUOURGI-XCVCLJGOBV